3-bromo-2,2-dimethylpropan-1-ol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[ethyl-(3-hydroxy-2,2-dimethylpropyl)amino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-(ethylamino)-2,2-dimethylpropan-1-ol

C55H71BrCl2N8O10 — CID 157398185

About 3-bromo-2,2-dimethylpropan-1-ol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[ethyl-(3-hydroxy-2,2-dimethylpropyl)amino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-(ethylamino)-2,2-dimethylpropan-1-ol

3-bromo-2,2-dimethylpropan-1-ol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[ethyl-(3-hydroxy-2,2-dimethylpropyl)amino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-(ethylamino)-2,2-dimethylpropan-1-ol (PubChem CID 157398185) has the molecular formula C55H71BrCl2N8O10 and a molecular weight of 1155.03 g/mol. Its IUPAC name is 3-bromo-2,2-dimethylpropan-1-ol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[ethyl-(3-hydroxy-2,2-dimethylpropyl)amino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-(ethylamino)-2,2-dimethylpropan-1-ol.

Molecular Properties

• Compound Name: 3-bromo-2,2-dimethylpropan-1-ol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[ethyl-(3-hydroxy-2,2-dimethylpropyl)amino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-(ethylamino)-2,2-dimethylpropan-1-ol
• PubChem CID: 157398185
• Molecular Formula: C55H71BrCl2N8O10
• Molecular Weight: 1155.03 g/mol
• Exact Mass: 1152.39
• IUPAC Name: 3-bromo-2,2-dimethylpropan-1-ol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[ethyl-(3-hydroxy-2,2-dimethylpropyl)amino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-(ethylamino)-2,2-dimethylpropan-1-ol
• SMILES: CC(C)(CO)CBr.CCN(CC(C)(C)CO)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21.CCNCC(C)(C)CO.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21
• InChI: InChI=1S/C25H29ClN4O4.C18H14ClN3O4.C7H17NO.C5H11BrO/c1-4-29(15-25(2,3)16-31)21(32)14-30-22-18(6-5-11-27-22)12-20(24(30)34)23(33)28-13-17-7-9-19(26)10-8-17;19-13-5-3-11(4-6-13)9-21-17(25)14-8-12-2-1-7-20-16(12)22(18(14)26)10-15(23)24;1-4-8-5-7(2,3)6-9;1-5(2,3-6)4-7/h5-12,31H,4,13-16H2,1-3H3,(H,28,33);1-8H,9-10H2,(H,21,25)(H,23,24);8-9H,4-6H2,1-3H3;7H,3-4H2,1-2H3
• InChIKey: BMVDGKAUVMHFON-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 258.31 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1155.03
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,2-dimethylpropan-1-ol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[ethyl-(3-hydroxy-2,2-dimethylpropyl)amino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-(ethylamino)-2,2-dimethylpropan-1-ol?

The IUPAC name of 3-bromo-2,2-dimethylpropan-1-ol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[ethyl-(3-hydroxy-2,2-dimethylpropyl)amino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-(ethylamino)-2,2-dimethylpropan-1-ol (CID 157398185) is 3-bromo-2,2-dimethylpropan-1-ol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[ethyl-(3-hydroxy-2,2-dimethylpropyl)amino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-(ethylamino)-2,2-dimethylpropan-1-ol.

What is the SMILES notation for 3-bromo-2,2-dimethylpropan-1-ol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[ethyl-(3-hydroxy-2,2-dimethylpropyl)amino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-(ethylamino)-2,2-dimethylpropan-1-ol?

The canonical SMILES for 3-bromo-2,2-dimethylpropan-1-ol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[ethyl-(3-hydroxy-2,2-dimethylpropyl)amino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-(ethylamino)-2,2-dimethylpropan-1-ol is CC(C)(CO)CBr.CCN(CC(C)(C)CO)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21.CCNCC(C)(C)CO.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21.

What is the InChIKey of 3-bromo-2,2-dimethylpropan-1-ol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[ethyl-(3-hydroxy-2,2-dimethylpropyl)amino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-(ethylamino)-2,2-dimethylpropan-1-ol?

The InChIKey is BMVDGKAUVMHFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4.C18H14ClN3O4.C7H17NO.C5H11BrO/c1-4-29(15-25(2,3)16-31)21(32)14-30-22-18(6-5-11-27-22)12-20(24(30)34)23(33)28-13-17-7-9-19(26)10-8-17;19-13-5-3-11(4-6-13)9-21-17(25)14-8-12-2-1-7-20-16(12)22(18(14)26)10-15(23)24;1-4-8-5-7(2,3)6-9;1-5(2,3-6)4-7/h5-12,31H,4,13-16H2,1-3H3,(H,28,33);1-8H,9-10H2,(H,21,25)(H,23,24);8-9H,4-6H2,1-3H3;7H,3-4H2,1-2H3.

What are the key properties of 3-bromo-2,2-dimethylpropan-1-ol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[ethyl-(3-hydroxy-2,2-dimethylpropyl)amino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-(ethylamino)-2,2-dimethylpropan-1-ol?

3-bromo-2,2-dimethylpropan-1-ol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[ethyl-(3-hydroxy-2,2-dimethylpropyl)amino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-(ethylamino)-2,2-dimethylpropan-1-ol has a molecular weight of 1155.03 g/mol, XLogP of 6.93, 20 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-2,2-dimethylpropan-1-ol;2-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[ethyl-(3-hydroxy-2,2-dimethylpropyl)amino]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;3-(ethylamino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 157398185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).