2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide

C16H22N2O2 — CID 56827421

IUPAC2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CC1(CC(=O)NCC#C)CCCCC1
InChIInChI=1S/C16H22N2O2/c1-3-10-17-14(19)12-16(8-6-5-7-9-16)13-15(20)18-11-4-2/h1-2H,5-13H2,(H,17,19)(H,18,20)
InChIKeyUVPIZCRPYWGXAO-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.22
Rot. Bonds6

About 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide

2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide (PubChem CID 56827421) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide
PubChem CID56827421
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CC1(CC(=O)NCC#C)CCCCC1
InChIInChI=1S/C16H22N2O2/c1-3-10-17-14(19)12-16(8-6-5-7-9-16)13-15(20)18-11-4-2/h1-2H,5-13H2,(H,17,19)(H,18,20)
InChIKeyUVPIZCRPYWGXAO-UHFFFAOYSA-N
XLogP1.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(1-hydroxycycloheptyl)methyl]-N-prop-2-ynylpropanediamide
CID 110017495
N-(2-methylpropyl)-2-[1-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025352
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,4-diazepan-1-yl]-N-prop-2-ynylacetamide
CID 31313709
2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 115696833
2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60919907
2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071861
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051
1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid
CID 81167570
2-[1-(aminomethyl)cyclobutyl]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 81169440
4-oxo-N-prop-2-ynylpentanamide
CID 60646238

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide (CID 56827421) is 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide is C#CCNC(=O)CC1(CC(=O)NCC#C)CCCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide?
The InChIKey is UVPIZCRPYWGXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-10-17-14(19)12-16(8-6-5-7-9-16)13-15(20)18-11-4-2/h1-2H,5-13H2,(H,17,19)(H,18,20).
What are the key properties of 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide?
2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide has a molecular weight of 274.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide is sourced from PubChem (CID 56827421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).