N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide

C15H29N3O — CID 55121307

IUPACN-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide
SMILESCC(NC(=O)CN1CCCNCC1)C1CCCCC1
InChIInChI=1S/C15H29N3O/c1-13(14-6-3-2-4-7-14)17-15(19)12-18-10-5-8-16-9-11-18/h13-14,16H,2-12H2,1H3,(H,17,19)
InChIKeyRXBIZRHBFQCHIV-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.37
Rot. Bonds4

About N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide

N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide (PubChem CID 55121307) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide
PubChem CID55121307
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide
SMILESCC(NC(=O)CN1CCCNCC1)C1CCCCC1
InChIInChI=1S/C15H29N3O/c1-13(14-6-3-2-4-7-14)17-15(19)12-18-10-5-8-16-9-11-18/h13-14,16H,2-12H2,1H3,(H,17,19)
InChIKeyRXBIZRHBFQCHIV-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyclohexylethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 81386070
2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119906862
2-(4-aminopiperidin-1-yl)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389820
5-[[2-(1,4-diazepan-1-yl)acetyl]amino]hexanoic acid
CID 82846036
N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide
CID 43162430
methyl 2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-3-methylbutanoate
CID 62839439
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide
CID 62839148
2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62838906
2-(1,4-diazepan-1-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 81356922
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide
CID 81386056

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide (CID 55121307) is N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide is CC(NC(=O)CN1CCCNCC1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide?
The InChIKey is RXBIZRHBFQCHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(14-6-3-2-4-7-14)17-15(19)12-18-10-5-8-16-9-11-18/h13-14,16H,2-12H2,1H3,(H,17,19).
What are the key properties of N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide?
N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 55121307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).