N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide

C19H27N3O2 — CID 95352627

IUPACN-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESC[C@H](C(=O)Nc1cccc(NC(=O)C2CC2)c1)N1CCCCCC1
InChIInChI=1S/C19H27N3O2/c1-14(22-11-4-2-3-5-12-22)18(23)20-16-7-6-8-17(13-16)21-19(24)15-9-10-15/h6-8,13-15H,2-5,9-12H2,1H3,(H,20,23)(H,21,24)/t14-/m1/s1
InChIKeyGIJYYORESCCBMT-CQSZACIVSA-N
MW329.44 g/mol
LogP3.24
Rot. Bonds5

About N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide

N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 95352627) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID95352627
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESC[C@H](C(=O)Nc1cccc(NC(=O)C2CC2)c1)N1CCCCCC1
InChIInChI=1S/C19H27N3O2/c1-14(22-11-4-2-3-5-12-22)18(23)20-16-7-6-8-17(13-16)21-19(24)15-9-10-15/h6-8,13-15H,2-5,9-12H2,1H3,(H,20,23)(H,21,24)/t14-/m1/s1
InChIKeyGIJYYORESCCBMT-CQSZACIVSA-N
XLogP3.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 86918794
1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 17498457
1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 30795732
(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 41023511

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide (CID 95352627) is N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide is C[C@H](C(=O)Nc1cccc(NC(=O)C2CC2)c1)N1CCCCCC1.
What is the InChIKey of N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is GIJYYORESCCBMT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(22-11-4-2-3-5-12-22)18(23)20-16-7-6-8-17(13-16)21-19(24)15-9-10-15/h6-8,13-15H,2-5,9-12H2,1H3,(H,20,23)(H,21,24)/t14-/m1/s1.
What are the key properties of N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide?
N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 95352627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).