N-[cyclopropyl(phenyl)methyl]prop-2-enamide

C13H15NO — CID 43616558

IUPACN-[cyclopropyl(phenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C13H15NO/c1-2-12(15)14-13(11-8-9-11)10-6-4-3-5-7-10/h2-7,11,13H,1,8-9H2,(H,14,15)
InChIKeyDSRPFTXBXLUDGG-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.44
Rot. Bonds4

About N-[cyclopropyl(phenyl)methyl]prop-2-enamide

N-[cyclopropyl(phenyl)methyl]prop-2-enamide (PubChem CID 43616558) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]prop-2-enamide
PubChem CID43616558
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-[cyclopropyl(phenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C13H15NO/c1-2-12(15)14-13(11-8-9-11)10-6-4-3-5-7-10/h2-7,11,13H,1,8-9H2,(H,14,15)
InChIKeyDSRPFTXBXLUDGG-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 62671204
2-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 61265413
(E)-N-[(R)-cyclopropyl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 31514981
N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 51295877
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride
CID 119698485
N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide
CID 99792859
1-[cyclopropyl(phenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892838
N-benzyl-N'-[(R)-cyclopropyl(phenyl)methyl]oxamide
CID 99792858
2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide
CID 54928140
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]prop-2-enamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]prop-2-enamide (CID 43616558) is N-[cyclopropyl(phenyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]prop-2-enamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]prop-2-enamide is C=CC(=O)NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]prop-2-enamide?
The InChIKey is DSRPFTXBXLUDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-12(15)14-13(11-8-9-11)10-6-4-3-5-7-10/h2-7,11,13H,1,8-9H2,(H,14,15).
What are the key properties of N-[cyclopropyl(phenyl)methyl]prop-2-enamide?
N-[cyclopropyl(phenyl)methyl]prop-2-enamide has a molecular weight of 201.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]prop-2-enamide is sourced from PubChem (CID 43616558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).