N-butyl-3-cyano-N-methyl-3-phenylpropanamide

C15H20N2O — CID 112511367

IUPACN-butyl-3-cyano-N-methyl-3-phenylpropanamide
SMILESCCCCN(C)C(=O)CC(C#N)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-3-4-10-17(2)15(18)11-14(12-16)13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3
InChIKeyTZMMPPYEVAQQFY-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.94
Rot. Bonds6

About N-butyl-3-cyano-N-methyl-3-phenylpropanamide

N-butyl-3-cyano-N-methyl-3-phenylpropanamide (PubChem CID 112511367) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-butyl-3-cyano-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-butyl-3-cyano-N-methyl-3-phenylpropanamide
PubChem CID112511367
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-butyl-3-cyano-N-methyl-3-phenylpropanamide
SMILESCCCCN(C)C(=O)CC(C#N)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-3-4-10-17(2)15(18)11-14(12-16)13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3
InChIKeyTZMMPPYEVAQQFY-UHFFFAOYSA-N
XLogP2.94
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-cyano-N-methyl-3-(4-methylphenyl)propanamide
CID 112511575
N-butyl-3-cyano-N-methyl-3-(3-methylphenyl)propanamide
CID 112511573
2-cyano-N-methyl-N-pentyl-2-phenylacetamide
CID 62877008
N-[3-[butyl(methyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 78796197
3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile
CID 64537660
3-cyano-3-phenyl-N,N-di(propan-2-yl)propanamide;3-cyano-3-phenylpropanoic acid
CID 159488647
N-butyl-N-methyl-3-(1-phenylethylamino)propanamide
CID 109020272
potassium (3S)-3-cyano-3-phenylpropanoate
CID 44817960
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide
CID 82130381
3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide
CID 82127044
N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide
CID 110675714

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-cyano-N-methyl-3-phenylpropanamide?
The IUPAC name of N-butyl-3-cyano-N-methyl-3-phenylpropanamide (CID 112511367) is N-butyl-3-cyano-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-butyl-3-cyano-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-butyl-3-cyano-N-methyl-3-phenylpropanamide is CCCCN(C)C(=O)CC(C#N)c1ccccc1.
What is the InChIKey of N-butyl-3-cyano-N-methyl-3-phenylpropanamide?
The InChIKey is TZMMPPYEVAQQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-4-10-17(2)15(18)11-14(12-16)13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3.
What are the key properties of N-butyl-3-cyano-N-methyl-3-phenylpropanamide?
N-butyl-3-cyano-N-methyl-3-phenylpropanamide has a molecular weight of 244.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-cyano-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 112511367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).