(2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide

C13H25N3O2 — CID 2085394

IUPAC(2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide
SMILESCC1CCC(NC(=O)[C@H](NC(N)=O)C(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-8(2)11(16-13(14)18)12(17)15-10-6-4-9(3)5-7-10/h8-11H,4-7H2,1-3H3,(H,15,17)(H3,14,16,18)/t9?,10?,11-/m1/s1
InChIKeyMQPXJPSMBZIHMW-VQXHTEKXSA-N
MW255.36 g/mol
LogP1.37
Rot. Bonds4

About (2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide

(2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide (PubChem CID 2085394) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide
PubChem CID2085394
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide
SMILESCC1CCC(NC(=O)[C@H](NC(N)=O)C(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-8(2)11(16-13(14)18)12(17)15-10-6-4-9(3)5-7-10/h8-11H,4-7H2,1-3H3,(H,15,17)(H3,14,16,18)/t9?,10?,11-/m1/s1
InChIKeyMQPXJPSMBZIHMW-VQXHTEKXSA-N
XLogP1.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide
CID 35935105
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 64815182
2-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide
CID 104931679
(2S)-2-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 70253137
2-chloro-N-[(2R)-3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]benzamide
CID 51865236
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(4-methylcyclohexyl)butanamide
CID 76924598
[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea
CID 91973991
methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate
CID 4571639
(2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride
CID 119779394
3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43468748
(2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide
CID 29326396
1-[2-[[(1S,3R)-3-[[(2S)-2-(carbamoylamino)-3-methylbutanoyl]amino]cyclopentyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide
CID 167841719

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide (CID 2085394) is (2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide is CC1CCC(NC(=O)[C@H](NC(N)=O)C(C)C)CC1.
What is the InChIKey of (2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide?
The InChIKey is MQPXJPSMBZIHMW-VQXHTEKXSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-8(2)11(16-13(14)18)12(17)15-10-6-4-9(3)5-7-10/h8-11H,4-7H2,1-3H3,(H,15,17)(H3,14,16,18)/t9?,10?,11-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide?
(2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide has a molecular weight of 255.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)butanamide is sourced from PubChem (CID 2085394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).