N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide

C14H21N3O2 — CID 84599618

IUPACN-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide
SMILESO=C(CCCn1cccc1)NC1CCCCNC1=O
InChIInChI=1S/C14H21N3O2/c18-13(7-5-11-17-9-3-4-10-17)16-12-6-1-2-8-15-14(12)19/h3-4,9-10,12H,1-2,5-8,11H2,(H,15,19)(H,16,18)
InChIKeyIDPLZHIVWQZHPE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.05
Rot. Bonds5

About N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide

N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide (PubChem CID 84599618) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide
PubChem CID84599618
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide
SMILESO=C(CCCn1cccc1)NC1CCCCNC1=O
InChIInChI=1S/C14H21N3O2/c18-13(7-5-11-17-9-3-4-10-17)16-12-6-1-2-8-15-14(12)19/h3-4,9-10,12H,1-2,5-8,11H2,(H,15,19)(H,16,18)
InChIKeyIDPLZHIVWQZHPE-UHFFFAOYSA-N
XLogP1.05
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
6-amino-N-(2-oxoazepan-3-yl)hexanamide
CID 43704092
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 4200810
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid
CID 55033636
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170
3-cyclopentyl-N-(2-oxopiperidin-3-yl)propanamide
CID 47478331
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
N-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide
CID 92578020
N-(2-oxopiperidin-3-yl)-3-piperidin-2-ylpropanamide
CID 62211506

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide (CID 84599618) is N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide is O=C(CCCn1cccc1)NC1CCCCNC1=O.
What is the InChIKey of N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide?
The InChIKey is IDPLZHIVWQZHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13(7-5-11-17-9-3-4-10-17)16-12-6-1-2-8-15-14(12)19/h3-4,9-10,12H,1-2,5-8,11H2,(H,15,19)(H,16,18).
What are the key properties of N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide?
N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 84599618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).