N-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide

C12H23N3O2 — CID 64743252

IUPACN-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide
SMILESCC(NC1CCC(C)C(C)C1)C(=O)NC(N)=O
InChIInChI=1S/C12H23N3O2/c1-7-4-5-10(6-8(7)2)14-9(3)11(16)15-12(13)17/h7-10,14H,4-6H2,1-3H3,(H3,13,15,16,17)
InChIKeyKSOZGCDJEYYAGN-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.98
Rot. Bonds3

About N-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide

N-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide (PubChem CID 64743252) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide
PubChem CID64743252
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide
SMILESCC(NC1CCC(C)C(C)C1)C(=O)NC(N)=O
InChIInChI=1S/C12H23N3O2/c1-7-4-5-10(6-8(7)2)14-9(3)11(16)15-12(13)17/h7-10,14H,4-6H2,1-3H3,(H3,13,15,16,17)
InChIKeyKSOZGCDJEYYAGN-UHFFFAOYSA-N
XLogP0.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide
CID 54914283
2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide
CID 64744033
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide
CID 78999327
(2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11939503
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
CID 43086420
N-[(1R)-1-cyclopentylethyl]-3,4-dimethylcyclohexan-1-amine
CID 81395850
methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate
CID 79462002
N-carbamoyl-2-(1-cyclobutylethylamino)propanamide
CID 115766420
N-carbamoyl-2-[[(1R)-1-cyclopentylethyl]amino]propanamide
CID 81394882
N-carbamoyl-2-[(2-hydroxycyclohexyl)amino]propanamide
CID 62359652
N-carbamoyl-2-(1-cyclopropylethylamino)propanamide
CID 43401268
N-(3,4-dimethylcyclohexyl)-3-methyl-2-sulfanylbutanamide
CID 107031004

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide?
The IUPAC name of N-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide (CID 64743252) is N-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide?
The canonical SMILES for N-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide is CC(NC1CCC(C)C(C)C1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide?
The InChIKey is KSOZGCDJEYYAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-7-4-5-10(6-8(7)2)14-9(3)11(16)15-12(13)17/h7-10,14H,4-6H2,1-3H3,(H3,13,15,16,17).
What are the key properties of N-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide?
N-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide has a molecular weight of 241.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide is sourced from PubChem (CID 64743252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).