2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide

C16H23N3O2 — CID 94060517

IUPAC2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide
SMILESC[C@H]1CCC[C@H](NC(=O)Nc2ccccc2CC(N)=O)C1
InChIInChI=1S/C16H23N3O2/c1-11-5-4-7-13(9-11)18-16(21)19-14-8-3-2-6-12(14)10-15(17)20/h2-3,6,8,11,13H,4-5,7,9-10H2,1H3,(H2,17,20)(H2,18,19,21)/t11-,13-/m0/s1
InChIKeyZQXQJBCODNYRNA-AAEUAGOBSA-N
MW289.38 g/mol
LogP2.41
Rot. Bonds4

About 2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide

2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide (PubChem CID 94060517) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide
PubChem CID94060517
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide
SMILESC[C@H]1CCC[C@H](NC(=O)Nc2ccccc2CC(N)=O)C1
InChIInChI=1S/C16H23N3O2/c1-11-5-4-7-13(9-11)18-16(21)19-14-8-3-2-6-12(14)10-15(17)20/h2-3,6,8,11,13H,4-5,7,9-10H2,1H3,(H2,17,20)(H2,18,19,21)/t11-,13-/m0/s1
InChIKeyZQXQJBCODNYRNA-AAEUAGOBSA-N
XLogP2.41
TPSA84.22 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 ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of 2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide (CID 94060517) is 2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for 2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for 2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide is C[C@H]1CCC[C@H](NC(=O)Nc2ccccc2CC(N)=O)C1.
What is the InChIKey of 2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide?
The InChIKey is ZQXQJBCODNYRNA-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-5-4-7-13(9-11)18-16(21)19-14-8-3-2-6-12(14)10-15(17)20/h2-3,6,8,11,13H,4-5,7,9-10H2,1H3,(H2,17,20)(H2,18,19,21)/t11-,13-/m0/s1.
What are the key properties of 2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide?
2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 94060517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).