N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide

C17H29N3O3 — CID 167261062

IUPACN-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide
SMILESO=C(CCN1CCCCCC1=O)NCCC(=O)NCC1CCC1
InChIInChI=1S/C17H29N3O3/c21-15(19-13-14-5-4-6-14)8-10-18-16(22)9-12-20-11-3-1-2-7-17(20)23/h14H,1-13H2,(H,18,22)(H,19,21)
InChIKeyJNOJSPMDUIOVMM-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.20
Rot. Bonds8

About N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide

N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide (PubChem CID 167261062) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide
PubChem CID167261062
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide
SMILESO=C(CCN1CCCCCC1=O)NCCC(=O)NCC1CCC1
InChIInChI=1S/C17H29N3O3/c21-15(19-13-14-5-4-6-14)8-10-18-16(22)9-12-20-11-3-1-2-7-17(20)23/h14H,1-13H2,(H,18,22)(H,19,21)
InChIKeyJNOJSPMDUIOVMM-UHFFFAOYSA-N
XLogP1.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 139516928
(2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide
CID 139517145
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
CID 139516844
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
CID 139517074
3-(2-oxoazepan-1-yl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)propanamide
CID 72891820
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91791304
N-[[1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131940270
N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111459837
3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122570220
N-(cyclopropylmethyl)-1-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]piperidine-3-carboxamide
CID 87014329
N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131926036
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91796913

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide?
The IUPAC name of N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide (CID 167261062) is N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide is O=C(CCN1CCCCCC1=O)NCCC(=O)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide?
The InChIKey is JNOJSPMDUIOVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c21-15(19-13-14-5-4-6-14)8-10-18-16(22)9-12-20-11-3-1-2-7-17(20)23/h14H,1-13H2,(H,18,22)(H,19,21).
What are the key properties of N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide?
N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide has a molecular weight of 323.44 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide is sourced from PubChem (CID 167261062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).