2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate

C28H36N2O3 — CID 59224491

IUPAC2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)OCCc3ccc(NC(=O)NC4CCC4)cc3)ccc21
InChIInChI=1S/C28H36N2O3/c1-27(2)15-16-28(3,4)24-18-20(10-13-23(24)27)25(31)33-17-14-19-8-11-22(12-9-19)30-26(32)29-21-6-5-7-21/h8-13,18,21H,5-7,14-17H2,1-4H3,(H2,29,30,32)
InChIKeyQDARIHGMEGQIQR-UHFFFAOYSA-N
MW448.61 g/mol
LogP6.11
Rot. Bonds6

About 2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate

2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate (PubChem CID 59224491) has the molecular formula C28H36N2O3 and a molecular weight of 448.61 g/mol. Its IUPAC name is 2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Name2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate
PubChem CID59224491
Molecular FormulaC28H36N2O3
Molecular Weight448.61 g/mol
Exact Mass448.27
IUPAC Name2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)OCCc3ccc(NC(=O)NC4CCC4)cc3)ccc21
InChIInChI=1S/C28H36N2O3/c1-27(2)15-16-28(3,4)24-18-20(10-13-23(24)27)25(31)33-17-14-19-8-11-22(12-9-19)30-26(32)29-21-6-5-7-21/h8-13,18,21H,5-7,14-17H2,1-4H3,(H2,29,30,32)
InChIKeyQDARIHGMEGQIQR-UHFFFAOYSA-N
XLogP6.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate with MolForge

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Related Compounds

2-[4-(propan-2-ylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate
CID 59224525
2-[4-(propylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate
CID 24883342
2-[4-(benzylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate
CID 59224543
2-[4-(butanoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate
CID 59224486
2-[4-(pentanoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate
CID 59224480
butyl 4-(cyclohexylcarbamoylamino)benzoate
CID 5108905
2-[4-[[(3Z)-3-sulfanylhexa-3,5-dienoyl]amino]phenyl]ethyl 5-ethyl-5,8,8-trimethyl-6,7-dihydronaphthalene-2-carboxylate
CID 143672650
ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
CID 3086620
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
N-[3-[4-(cyclobutanecarbonylamino)phenyl]propanimidoyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
CID 143672622
ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate
CID 10959476
ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
CID 112989391

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate?
The IUPAC name of 2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate (CID 59224491) is 2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for 2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate?
The canonical SMILES for 2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate is CC1(C)CCC(C)(C)c2cc(C(=O)OCCc3ccc(NC(=O)NC4CCC4)cc3)ccc21.
What is the InChIKey of 2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate?
The InChIKey is QDARIHGMEGQIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O3/c1-27(2)15-16-28(3,4)24-18-20(10-13-23(24)27)25(31)33-17-14-19-8-11-22(12-9-19)30-26(32)29-21-6-5-7-21/h8-13,18,21H,5-7,14-17H2,1-4H3,(H2,29,30,32).
What are the key properties of 2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate?
2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate has a molecular weight of 448.61 g/mol, XLogP of 6.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 59224491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).