2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride

C16H30ClN3O2 — CID 119418106

IUPAC2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N1CCCNCC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-13(16(21)19-10-5-8-17-9-11-19)18-15(20)12-14-6-3-2-4-7-14;/h13-14,17H,2-12H2,1H3,(H,18,20);1H
InChIKeyRUXMASRQUSPSEW-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.71
Rot. Bonds4

About 2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride

2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride (PubChem CID 119418106) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
PubChem CID119418106
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N1CCCNCC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-13(16(21)19-10-5-8-17-9-11-19)18-15(20)12-14-6-3-2-4-7-14;/h13-14,17H,2-12H2,1H3,(H,18,20);1H
InChIKeyRUXMASRQUSPSEW-UHFFFAOYSA-N
XLogP1.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
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(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride (CID 119418106) is 2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride is CC(NC(=O)CC1CCCCC1)C(=O)N1CCCNCC1.Cl.
What is the InChIKey of 2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride?
The InChIKey is RUXMASRQUSPSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-13(16(21)19-10-5-8-17-9-11-19)18-15(20)12-14-6-3-2-4-7-14;/h13-14,17H,2-12H2,1H3,(H,18,20);1H.
What are the key properties of 2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride?
2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 119418106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).