2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide

C12H23N3O3 — CID 83202418

IUPAC2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NOC1CCCC1
InChIInChI=1S/C12H23N3O3/c1-8(2)7-10(14-12(13)17)11(16)15-18-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H3,13,14,17)
InChIKeySCZMFQGDXSCULJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.06
Rot. Bonds6

About 2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide

2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide (PubChem CID 83202418) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide
PubChem CID83202418
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NOC1CCCC1
InChIInChI=1S/C12H23N3O3/c1-8(2)7-10(14-12(13)17)11(16)15-18-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H3,13,14,17)
InChIKeySCZMFQGDXSCULJ-UHFFFAOYSA-N
XLogP1.06
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide
CID 62365972
2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid
CID 63929707
2-chloro-N-cyclopentyloxypropanamide
CID 83228760
N-cyclopentyloxy-2,3-dimethylbutanamide
CID 83202498
(2R)-7-amino-N-cyclohexyloxy-2-methylheptanamide
CID 89167403
(2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide
CID 89167578
2-(carbamoylamino)-N-ethyl-4-methylpentanamide
CID 60636503
2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107847321
cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
2-acetamido-N-cyclopentyloxy-3-methylbutanamide
CID 83202845
2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide
CID 170322576
(2S)-2-(2-cycloheptyloxypropanoylamino)-4-methylpentanoic acid
CID 119360863

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide (CID 83202418) is 2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide is CC(C)CC(NC(N)=O)C(=O)NOC1CCCC1.
What is the InChIKey of 2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide?
The InChIKey is SCZMFQGDXSCULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(2)7-10(14-12(13)17)11(16)15-18-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H3,13,14,17).
What are the key properties of 2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide?
2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide has a molecular weight of 257.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide is sourced from PubChem (CID 83202418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).