3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide

C14H17NO2 — CID 110470652

IUPAC3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
SMILESCC(=O)CC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C14H17NO2/c1-11(16)9-13(17)15-10-14(7-8-14)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,15,17)
InChIKeyMEGARQXARKVQQX-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.81
Rot. Bonds5

About 3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide

3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide (PubChem CID 110470652) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound Name3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
PubChem CID110470652
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
SMILESCC(=O)CC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C14H17NO2/c1-11(16)9-13(17)15-10-14(7-8-14)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,15,17)
InChIKeyMEGARQXARKVQQX-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
ethyl 3-oxo-3-[(1-phenylcyclopropyl)methylamino]propanoate
CID 110474208
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid
CID 119911689
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 34557487
N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]-2-phenylacetamide
CID 42145846
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110443182
3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
CID 110477352
2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 41288066
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide?
The IUPAC name of 3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide (CID 110470652) is 3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide.
What is the SMILES notation for 3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide?
The canonical SMILES for 3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide is CC(=O)CC(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide?
The InChIKey is MEGARQXARKVQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11(16)9-13(17)15-10-14(7-8-14)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,15,17).
What are the key properties of 3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide?
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide has a molecular weight of 231.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 110470652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).