3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide

C11H21N3O2 — CID 47116548

IUPAC3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)CCNC(N)=O
InChIInChI=1S/C11H21N3O2/c1-8-4-2-3-5-9(8)14-10(15)6-7-13-11(12)16/h8-9H,2-7H2,1H3,(H,14,15)(H3,12,13,16)
InChIKeyLXDSIFOPHPWSQD-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.74
Rot. Bonds4

About 3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide

3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide (PubChem CID 47116548) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide
PubChem CID47116548
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)CCNC(N)=O
InChIInChI=1S/C11H21N3O2/c1-8-4-2-3-5-9(8)14-10(15)6-7-13-11(12)16/h8-9H,2-7H2,1H3,(H,14,15)(H3,12,13,16)
InChIKeyLXDSIFOPHPWSQD-UHFFFAOYSA-N
XLogP0.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
CID 11938459
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
N-(2-methylcyclohexyl)butanamide
CID 47005567
(2-methylcyclohexyl)urea
CID 3345444
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 30827845
3-(carbamoylamino)-N-cyclohexylpropanamide
CID 47116358
N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593173
4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 6938267
(2-methylcyclopentyl)urea
CID 63281869
2-chloro-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 47004575
2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976266
2-chloro-N-[3-[[(1R,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976258

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide (CID 47116548) is 3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide is CC1CCCCC1NC(=O)CCNC(N)=O.
What is the InChIKey of 3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide?
The InChIKey is LXDSIFOPHPWSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8-4-2-3-5-9(8)14-10(15)6-7-13-11(12)16/h8-9H,2-7H2,1H3,(H,14,15)(H3,12,13,16).
What are the key properties of 3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide?
3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide has a molecular weight of 227.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 47116548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).