(2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide

C13H25N3O2 — CID 94208897

IUPAC(2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide
SMILESCCC1CCC(CNC(=O)[C@H](C)NC(N)=O)CC1
InChIInChI=1S/C13H25N3O2/c1-3-10-4-6-11(7-5-10)8-15-12(17)9(2)16-13(14)18/h9-11H,3-8H2,1-2H3,(H,15,17)(H3,14,16,18)/t9-,10?,11?/m0/s1
InChIKeyITCQLWPKKQUAQJ-WHXUTIOJSA-N
MW255.36 g/mol
LogP1.38
Rot. Bonds5

About (2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide

(2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide (PubChem CID 94208897) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide
PubChem CID94208897
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide
SMILESCCC1CCC(CNC(=O)[C@H](C)NC(N)=O)CC1
InChIInChI=1S/C13H25N3O2/c1-3-10-4-6-11(7-5-10)8-15-12(17)9(2)16-13(14)18/h9-11H,3-8H2,1-2H3,(H,15,17)(H3,14,16,18)/t9-,10?,11?/m0/s1
InChIKeyITCQLWPKKQUAQJ-WHXUTIOJSA-N
XLogP1.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide
CID 4222340
2-(Cyano-methyl-amino)-N-((S)-2-cyclohexyl-1-methyl-ethyl)-acetamide
CID 44398665
(R)-2-Amino-N-(cyclohexylmethyl)-3-methylbutanamide
CID 54757478
2-acetamido-N-(4-methylcyclohexyl)acetamide
CID 8895159
2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide
CID 3993867
N-(cyclohexylmethyl)-2-(hydroxycarbamoylamino)-3-methyl-pentanamide
CID 5273837
N-{2-[Bis(2-methylpropyl)amino]ethyl}-2-[(4-ethylcyclohexyl)formamido]-3-methylbutanamide
CID 15987922
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide
CID 42578187
2-[Methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide
CID 45825489
2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide
CID 51109242
2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide
CID 71990729
N-[2-[(2,6-dimethylcyclohexyl)amino]-2-oxoethyl]-2-methylbutanamide
CID 72041630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide (CID 94208897) is (2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide is CCC1CCC(CNC(=O)[C@H](C)NC(N)=O)CC1.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide?
The InChIKey is ITCQLWPKKQUAQJ-WHXUTIOJSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-10-4-6-11(7-5-10)8-15-12(17)9(2)16-13(14)18/h9-11H,3-8H2,1-2H3,(H,15,17)(H3,14,16,18)/t9-,10?,11?/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide?
(2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide has a molecular weight of 255.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 94208897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).