N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide

C13H24N2O2 — CID 71934065

IUPACN-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide
SMILESCCC(CC)NC(=O)C(C)NC(=O)C1CCC1
InChIInChI=1S/C13H24N2O2/c1-4-11(5-2)15-12(16)9(3)14-13(17)10-7-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyOMBXNZSTXKPOAF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.60
Rot. Bonds6

About N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide

N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide (PubChem CID 71934065) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide
PubChem CID71934065
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide
SMILESCCC(CC)NC(=O)C(C)NC(=O)C1CCC1
InChIInChI=1S/C13H24N2O2/c1-4-11(5-2)15-12(16)9(3)14-13(17)10-7-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyOMBXNZSTXKPOAF-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid
CID 119212075
2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 47400512
2-(2-cyclobutylethylamino)-N-pentan-3-ylpropanamide
CID 115688578
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
N-[1-oxo-1-(propylamino)propan-2-yl]cyclopropanecarboxamide
CID 60659669
N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 95702443
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-(1-aminobutan-2-yl)cyclooctanecarboxamide
CID 65020917
2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide
CID 62405918
2-[(2-methylcyclopentyl)methylamino]-N-pentan-3-ylpropanamide
CID 107417924
tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate
CID 20836864

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide (CID 71934065) is N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide is CCC(CC)NC(=O)C(C)NC(=O)C1CCC1.
What is the InChIKey of N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide?
The InChIKey is OMBXNZSTXKPOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-11(5-2)15-12(16)9(3)14-13(17)10-7-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide?
N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 71934065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).