2-methylidene-N-(2-propylphenyl)butanamide

C14H19NO — CID 142073975

IUPAC2-methylidene-N-(2-propylphenyl)butanamide
SMILESC=C(CC)C(=O)Nc1ccccc1CCC
InChIInChI=1S/C14H19NO/c1-4-8-12-9-6-7-10-13(12)15-14(16)11(3)5-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyDHPTZQQUUMTMAG-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.54
Rot. Bonds5

About 2-methylidene-N-(2-propylphenyl)butanamide

2-methylidene-N-(2-propylphenyl)butanamide (PubChem CID 142073975) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methylidene-N-(2-propylphenyl)butanamide.

Molecular Properties

Compound Name2-methylidene-N-(2-propylphenyl)butanamide
PubChem CID142073975
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-methylidene-N-(2-propylphenyl)butanamide
SMILESC=C(CC)C(=O)Nc1ccccc1CCC
InChIInChI=1S/C14H19NO/c1-4-8-12-9-6-7-10-13(12)15-14(16)11(3)5-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyDHPTZQQUUMTMAG-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.54
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

ethane;N-(2-propylphenyl)acetamide
CID 142804217
N-(3-hydroxypropyl)-N'-(2-propylphenyl)oxamide
CID 47224610
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
1,1-diethyl-3-(2-propylphenyl)urea
CID 113233204
N-(2-methylidenebutyl)-2-propylaniline
CID 66044507
2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid
CID 103497022
(2-propylphenyl)carbamodithioic acid
CID 87193127
1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583957
(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide
CID 103928701
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
2-amino-N-(2-propylphenyl)cyclopropane-1-carboxamide
CID 82239256
2-(2-ethylanilino)-2-oxoacetyl chloride
CID 87858291

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-(2-propylphenyl)butanamide?
The IUPAC name of 2-methylidene-N-(2-propylphenyl)butanamide (CID 142073975) is 2-methylidene-N-(2-propylphenyl)butanamide.
What is the SMILES notation for 2-methylidene-N-(2-propylphenyl)butanamide?
The canonical SMILES for 2-methylidene-N-(2-propylphenyl)butanamide is C=C(CC)C(=O)Nc1ccccc1CCC.
What is the InChIKey of 2-methylidene-N-(2-propylphenyl)butanamide?
The InChIKey is DHPTZQQUUMTMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-8-12-9-6-7-10-13(12)15-14(16)11(3)5-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of 2-methylidene-N-(2-propylphenyl)butanamide?
2-methylidene-N-(2-propylphenyl)butanamide has a molecular weight of 217.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-(2-propylphenyl)butanamide is sourced from PubChem (CID 142073975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).