N-cyclopropyl-N'-phenylbutanediamide

C13H16N2O2 — CID 70314355

IUPACN-cyclopropyl-N'-phenylbutanediamide
SMILESO=C(CCC(=O)NC1CC1)Nc1ccccc1
InChIInChI=1S/C13H16N2O2/c16-12(14-10-4-2-1-3-5-10)8-9-13(17)15-11-6-7-11/h1-5,11H,6-9H2,(H,14,16)(H,15,17)
InChIKeyXFJJZYZASJSUQT-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.68
Rot. Bonds5

About N-cyclopropyl-N'-phenylbutanediamide

N-cyclopropyl-N'-phenylbutanediamide (PubChem CID 70314355) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-cyclopropyl-N'-phenylbutanediamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-phenylbutanediamide
PubChem CID70314355
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-cyclopropyl-N'-phenylbutanediamide
SMILESO=C(CCC(=O)NC1CC1)Nc1ccccc1
InChIInChI=1S/C13H16N2O2/c16-12(14-10-4-2-1-3-5-10)8-9-13(17)15-11-6-7-11/h1-5,11H,6-9H2,(H,14,16)(H,15,17)
InChIKeyXFJJZYZASJSUQT-UHFFFAOYSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dicyclopropylbutanediamide
CID 5225156
N-cyclopropyl-2-phenylacetamide
CID 5175687
N'-(3-hydroxyphenyl)-N-(4-methoxycyclohexyl)butanediamide
CID 163312542
2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide
CID 112696312
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
3-fluoro-N-phenylpropanamide
CID 70366284
2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide
CID 110934385
4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide
CID 79401604
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
2-cyclopropyl-N-phenylacetamide
CID 60753326
11-anilino-11-oxoundecanoic acid
CID 150341840
4-oxo-N,4-diphenylbutanamide
CID 825307

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-phenylbutanediamide?
The IUPAC name of N-cyclopropyl-N'-phenylbutanediamide (CID 70314355) is N-cyclopropyl-N'-phenylbutanediamide.
What is the SMILES notation for N-cyclopropyl-N'-phenylbutanediamide?
The canonical SMILES for N-cyclopropyl-N'-phenylbutanediamide is O=C(CCC(=O)NC1CC1)Nc1ccccc1.
What is the InChIKey of N-cyclopropyl-N'-phenylbutanediamide?
The InChIKey is XFJJZYZASJSUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-12(14-10-4-2-1-3-5-10)8-9-13(17)15-11-6-7-11/h1-5,11H,6-9H2,(H,14,16)(H,15,17).
What are the key properties of N-cyclopropyl-N'-phenylbutanediamide?
N-cyclopropyl-N'-phenylbutanediamide has a molecular weight of 232.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-phenylbutanediamide is sourced from PubChem (CID 70314355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).