2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide

C26H30BrN3O3 — CID 3983423

IUPAC2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
SMILESCC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C26H30BrN3O3/c1-20(2)17-30(26(32)28-23-12-10-22(27)11-13-23)19-25(31)29(18-24-9-6-16-33-24)15-14-21-7-4-3-5-8-21/h3-13,16,20H,14-15,17-19H2,1-2H3,(H,28,32)
InChIKeyAMNSCECQDOTMIJ-UHFFFAOYSA-N
MW512.45 g/mol
LogP5.80
Rot. Bonds10

About 2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide

2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide (PubChem CID 3983423) has the molecular formula C26H30BrN3O3 and a molecular weight of 512.45 g/mol. Its IUPAC name is 2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
PubChem CID3983423
Molecular FormulaC26H30BrN3O3
Molecular Weight512.45 g/mol
Exact Mass511.15
IUPAC Name2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
SMILESCC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C26H30BrN3O3/c1-20(2)17-30(26(32)28-23-12-10-22(27)11-13-23)19-25(31)29(18-24-9-6-16-33-24)15-14-21-7-4-3-5-8-21/h3-13,16,20H,14-15,17-19H2,1-2H3,(H,28,32)
InChIKeyAMNSCECQDOTMIJ-UHFFFAOYSA-N
XLogP5.80
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.45
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4597509
3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea
CID 1058618
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 4689277
N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide
CID 5188830
3-bromo-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3572211
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3665303
2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3602263
4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 4030396
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
CID 3358499
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 3925001
3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
CID 47031796
2-[(3,4-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 5183118

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide (CID 3983423) is 2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide is CC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The InChIKey is AMNSCECQDOTMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30BrN3O3/c1-20(2)17-30(26(32)28-23-12-10-22(27)11-13-23)19-25(31)29(18-24-9-6-16-33-24)15-14-21-7-4-3-5-8-21/h3-13,16,20H,14-15,17-19H2,1-2H3,(H,28,32).
What are the key properties of 2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide has a molecular weight of 512.45 g/mol, XLogP of 5.80, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3983423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).