2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide

C16H23N3O2 — CID 47075852

IUPAC2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-17-15(20)14(12-8-4-2-5-9-12)19-16(21)18-13-10-6-3-7-11-13/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyYATXBXGPIMWPTM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.11
Rot. Bonds4

About 2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide

2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide (PubChem CID 47075852) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
PubChem CID47075852
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-17-15(20)14(12-8-4-2-5-9-12)19-16(21)18-13-10-6-3-7-11-13/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyYATXBXGPIMWPTM-UHFFFAOYSA-N
XLogP2.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
methyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 71308112
N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 47075853
1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea
CID 110287025
(2R)-N-methyl-2-[[1-(3-methylphenyl)piperidin-4-yl]carbamoylamino]-2-phenylacetamide
CID 126437574
1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 40541623
1-[cyano(phenyl)methyl]-3-cyclohexylurea
CID 54904474
benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267835
tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539461
tert-butyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539467

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide (CID 47075852) is 2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide is CNC(=O)C(NC(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide?
The InChIKey is YATXBXGPIMWPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-15(20)14(12-8-4-2-5-9-12)19-16(21)18-13-10-6-3-7-11-13/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of 2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide?
2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide has a molecular weight of 289.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide is sourced from PubChem (CID 47075852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).