2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide

C25H31N3O2 — CID 19608252

IUPAC2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
SMILESO=C(CNC1CCCCC1)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1
InChIInChI=1S/C25H31N3O2/c29-24(18-26-21-10-2-1-3-11-21)27-22-15-13-20(14-16-22)25(30)28-17-7-6-9-19-8-4-5-12-23(19)28/h4-5,8,12-16,21,26H,1-3,6-7,9-11,17-18H2,(H,27,29)
InChIKeyYGGAKKIAOUKKKZ-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.53
Rot. Bonds5

About 2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide

2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide (PubChem CID 19608252) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
PubChem CID19608252
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
SMILESO=C(CNC1CCCCC1)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1
InChIInChI=1S/C25H31N3O2/c29-24(18-26-21-10-2-1-3-11-21)27-22-15-13-20(14-16-22)25(30)28-17-7-6-9-19-8-4-5-12-23(19)28/h4-5,8,12-16,21,26H,1-3,6-7,9-11,17-18H2,(H,27,29)
InChIKeyYGGAKKIAOUKKKZ-UHFFFAOYSA-N
XLogP4.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylanilino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 19608007
2-[4-(acetamidomethyl)anilino]-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 139795648
trans-(1S,2S)-2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 7366932
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
N-[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338616
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119761289
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 60608468
3-hydroxy-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
CID 19607809
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338642
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide (CID 19608252) is 2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide is O=C(CNC1CCCCC1)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1.
What is the InChIKey of 2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide?
The InChIKey is YGGAKKIAOUKKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-24(18-26-21-10-2-1-3-11-21)27-22-15-13-20(14-16-22)25(30)28-17-7-6-9-19-8-4-5-12-23(19)28/h4-5,8,12-16,21,26H,1-3,6-7,9-11,17-18H2,(H,27,29).
What are the key properties of 2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide?
2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide has a molecular weight of 405.54 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 19608252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).