N-methyl-N-(4-phenylbutyl)prop-2-enamide

C14H19NO — CID 60949708

IUPACN-methyl-N-(4-phenylbutyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCCCc1ccccc1
InChIInChI=1S/C14H19NO/c1-3-14(16)15(2)12-8-7-11-13-9-5-4-6-10-13/h3-6,9-10H,1,7-8,11-12H2,2H3
InChIKeyNWFXPWLAZFZSGY-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.65
Rot. Bonds6

About N-methyl-N-(4-phenylbutyl)prop-2-enamide

N-methyl-N-(4-phenylbutyl)prop-2-enamide (PubChem CID 60949708) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-methyl-N-(4-phenylbutyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(4-phenylbutyl)prop-2-enamide
PubChem CID60949708
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-methyl-N-(4-phenylbutyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCCCc1ccccc1
InChIInChI=1S/C14H19NO/c1-3-14(16)15(2)12-8-7-11-13-9-5-4-6-10-13/h3-6,9-10H,1,7-8,11-12H2,2H3
InChIKeyNWFXPWLAZFZSGY-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(8-benzylsulfanyloctyl)-N-methylprop-2-enamide
CID 162364415
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
CID 114328216
2,3-dimethyl-4-[methyl(4-phenylbutyl)amino]-4-oxobutanoic acid
CID 103497790
N-benzyl-N-pentylprop-2-enamide
CID 176825792
N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide
CID 134246358
1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide
CID 65464465
(2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide
CID 79024406
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
4-[methyl(prop-2-enoyl)amino]butanoic acid
CID 43151837

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-phenylbutyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(4-phenylbutyl)prop-2-enamide (CID 60949708) is N-methyl-N-(4-phenylbutyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(4-phenylbutyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(4-phenylbutyl)prop-2-enamide is C=CC(=O)N(C)CCCCc1ccccc1.
What is the InChIKey of N-methyl-N-(4-phenylbutyl)prop-2-enamide?
The InChIKey is NWFXPWLAZFZSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-14(16)15(2)12-8-7-11-13-9-5-4-6-10-13/h3-6,9-10H,1,7-8,11-12H2,2H3.
What are the key properties of N-methyl-N-(4-phenylbutyl)prop-2-enamide?
N-methyl-N-(4-phenylbutyl)prop-2-enamide has a molecular weight of 217.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-phenylbutyl)prop-2-enamide is sourced from PubChem (CID 60949708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).