4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide

C11H20N4O3 — CID 54914283

IUPAC4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide
SMILESCC(NC1CCC(C(N)=O)CC1)C(=O)NC(N)=O
InChIInChI=1S/C11H20N4O3/c1-6(10(17)15-11(13)18)14-8-4-2-7(3-5-8)9(12)16/h6-8,14H,2-5H2,1H3,(H2,12,16)(H3,13,15,17,18)
InChIKeyIVCAUBQIJAGCFH-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.80
Rot. Bonds4

About 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide

4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 54914283) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide
PubChem CID54914283
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide
SMILESCC(NC1CCC(C(N)=O)CC1)C(=O)NC(N)=O
InChIInChI=1S/C11H20N4O3/c1-6(10(17)15-11(13)18)14-8-4-2-7(3-5-8)9(12)16/h6-8,14H,2-5H2,1H3,(H2,12,16)(H3,13,15,17,18)
InChIKeyIVCAUBQIJAGCFH-UHFFFAOYSA-N
XLogP-0.80
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[(3,4-dimethylcyclohexyl)amino]propanamide
CID 64743252
4-(1-cyclopentylethylamino)cyclohexane-1-carboxamide
CID 62631571
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
CID 43086420
(2S)-2-(cyclopropylamino)propanamide
CID 28835909
4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide
CID 115889950
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
4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319384
4-[(3-amino-2-methylpropanoyl)amino]cyclohexane-1-carboxamide
CID 62670323
N-carbamoyl-2-(1-cyclohexylethylamino)propanamide
CID 62405397

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide (CID 54914283) is 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide is CC(NC1CCC(C(N)=O)CC1)C(=O)NC(N)=O.
What is the InChIKey of 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is IVCAUBQIJAGCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-6(10(17)15-11(13)18)14-8-4-2-7(3-5-8)9(12)16/h6-8,14H,2-5H2,1H3,(H2,12,16)(H3,13,15,17,18).
What are the key properties of 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide?
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 256.31 g/mol, XLogP of -0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 54914283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).