2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide

C15H29N3O3 — CID 65120019

IUPAC2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C15H29N3O3/c1-4-11(3)12(18-14(16)20)13(19)17-9-15(21)7-5-10(2)6-8-15/h10-12,21H,4-9H2,1-3H3,(H,17,19)(H3,16,18,20)
InChIKeyPIUDJCXLQDEMHB-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.13
Rot. Bonds6

About 2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide

2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide (PubChem CID 65120019) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide
PubChem CID65120019
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C15H29N3O3/c1-4-11(3)12(18-14(16)20)13(19)17-9-15(21)7-5-10(2)6-8-15/h10-12,21H,4-9H2,1-3H3,(H,17,19)(H3,16,18,20)
InChIKeyPIUDJCXLQDEMHB-UHFFFAOYSA-N
XLogP1.13
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide
CID 107330119
N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide
CID 84873517
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
1-[[[2-(carbamoylamino)-3-methylpentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445099
2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide
CID 78957691
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpentanamide
CID 65119829
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
CID 95262479
(2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
CID 94615950
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65119904
2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 83029431
2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide
CID 115613559
3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide
CID 65116289

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide (CID 65120019) is 2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide is CCC(C)C(NC(N)=O)C(=O)NCC1(O)CCC(C)CC1.
What is the InChIKey of 2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide?
The InChIKey is PIUDJCXLQDEMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-4-11(3)12(18-14(16)20)13(19)17-9-15(21)7-5-10(2)6-8-15/h10-12,21H,4-9H2,1-3H3,(H,17,19)(H3,16,18,20).
What are the key properties of 2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide?
2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide has a molecular weight of 299.42 g/mol, XLogP of 1.13, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide is sourced from PubChem (CID 65120019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).