N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide

C16H22N2O2 — CID 47111718

IUPACN-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide
SMILESCCC(C(=O)NCCNC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-2-14(12-6-4-3-5-7-12)16(20)18-11-10-17-15(19)13-8-9-13/h3-7,13-14H,2,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyWRUNIVVYRXSILI-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.82
Rot. Bonds7

About N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide

N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide (PubChem CID 47111718) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide
PubChem CID47111718
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide
SMILESCCC(C(=O)NCCNC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-2-14(12-6-4-3-5-7-12)16(20)18-11-10-17-15(19)13-8-9-13/h3-7,13-14H,2,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyWRUNIVVYRXSILI-UHFFFAOYSA-N
XLogP1.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 115738013
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51153212
2-phenyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104971899
(2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide
CID 99996591
2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955284
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
N-cycloheptyl-2-phenylbutanamide
CID 2890971
2-phenyl-N-(piperidin-1-ylmethyl)butanamide
CID 117066964
N-[2-[[N-(2,2-diphenylethyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111357216
N-(5-bromo-4-methylpentyl)-2-phenylbutanamide
CID 106157795

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide (CID 47111718) is N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide is CCC(C(=O)NCCNC(=O)C1CC1)c1ccccc1.
What is the InChIKey of N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is WRUNIVVYRXSILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-14(12-6-4-3-5-7-12)16(20)18-11-10-17-15(19)13-8-9-13/h3-7,13-14H,2,8-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide?
N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 47111718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).