N-(7-oxoazepan-4-yl)propanamide

C9H16N2O2 — CID 131010978

IUPACN-(7-oxoazepan-4-yl)propanamide
SMILESCCC(=O)NC1CCNC(=O)CC1
InChIInChI=1S/C9H16N2O2/c1-2-8(12)11-7-3-4-9(13)10-6-5-7/h7H,2-6H2,1H3,(H,10,13)(H,11,12)
InChIKeyWFKAWLBIVPNEOO-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.18
Rot. Bonds2

About N-(7-oxoazepan-4-yl)propanamide

N-(7-oxoazepan-4-yl)propanamide (PubChem CID 131010978) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(7-oxoazepan-4-yl)propanamide.

Molecular Properties

Compound NameN-(7-oxoazepan-4-yl)propanamide
PubChem CID131010978
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(7-oxoazepan-4-yl)propanamide
SMILESCCC(=O)NC1CCNC(=O)CC1
InChIInChI=1S/C9H16N2O2/c1-2-8(12)11-7-3-4-9(13)10-6-5-7/h7H,2-6H2,1H3,(H,10,13)(H,11,12)
InChIKeyWFKAWLBIVPNEOO-UHFFFAOYSA-N
XLogP0.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
N-pyrrolidin-3-ylpropanamide
CID 18337238
(2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate
CID 72527724
(2,5-dioxopyrrolidin-1-yl) N-[(4S)-7-oxoazepan-4-yl]carbamate
CID 59142752
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
N-(2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-6-yl)propanamide
CID 101014141
acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide
CID 143542096
4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide
CID 138036113
2-methyl-N-(2-oxopiperidin-4-yl)propanamide
CID 112534578
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078

Frequently Asked Questions

What is the IUPAC name of N-(7-oxoazepan-4-yl)propanamide?
The IUPAC name of N-(7-oxoazepan-4-yl)propanamide (CID 131010978) is N-(7-oxoazepan-4-yl)propanamide.
What is the SMILES notation for N-(7-oxoazepan-4-yl)propanamide?
The canonical SMILES for N-(7-oxoazepan-4-yl)propanamide is CCC(=O)NC1CCNC(=O)CC1.
What is the InChIKey of N-(7-oxoazepan-4-yl)propanamide?
The InChIKey is WFKAWLBIVPNEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-8(12)11-7-3-4-9(13)10-6-5-7/h7H,2-6H2,1H3,(H,10,13)(H,11,12).
What are the key properties of N-(7-oxoazepan-4-yl)propanamide?
N-(7-oxoazepan-4-yl)propanamide has a molecular weight of 184.24 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxoazepan-4-yl)propanamide is sourced from PubChem (CID 131010978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).