N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide

C15H20N2O — CID 54990929

IUPACN-(2-cyanopropyl)-N-methyl-2-phenylbutanamide
SMILESCCC(C(=O)N(C)CC(C)C#N)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-4-14(13-8-6-5-7-9-13)15(18)17(3)11-12(2)10-16/h5-9,12,14H,4,11H2,1-3H3
InChIKeyZFBDSDYTNQQTDK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.80
Rot. Bonds5

About N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide

N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide (PubChem CID 54990929) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methyl-2-phenylbutanamide
PubChem CID54990929
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(2-cyanopropyl)-N-methyl-2-phenylbutanamide
SMILESCCC(C(=O)N(C)CC(C)C#N)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-4-14(13-8-6-5-7-9-13)15(18)17(3)11-12(2)10-16/h5-9,12,14H,4,11H2,1-3H3
InChIKeyZFBDSDYTNQQTDK-UHFFFAOYSA-N
XLogP2.80
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
methyl 2-[methyl(2-phenylbutanoyl)amino]acetate
CID 43422766
N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide
CID 54990418
methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate
CID 54980359
(2R)-N-[(2S)-2-cyanopropyl]-N-ethyl-2-methoxy-2-phenylacetamide
CID 94352405
N-(2-cyanopropyl)-N,3-dimethylpentanamide
CID 114874726
1-(2-cyanopropyl)-1,3,3-trimethylurea
CID 78969861
2-bromo-N-(2-cyanopropyl)-N-methylbenzamide
CID 55021092
N-(2-hydroxypropyl)-N,3-dimethyl-2-phenylpentanamide
CID 62335322
2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 62877708
N-(2-cyanopropyl)-N,2,6-trimethylbenzamide
CID 113258335
2-[2-[[[2-cyanopropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
CID 81311145

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide?
The IUPAC name of N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide (CID 54990929) is N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide is CCC(C(=O)N(C)CC(C)C#N)c1ccccc1.
What is the InChIKey of N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide?
The InChIKey is ZFBDSDYTNQQTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-14(13-8-6-5-7-9-13)15(18)17(3)11-12(2)10-16/h5-9,12,14H,4,11H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide?
N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide has a molecular weight of 244.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide is sourced from PubChem (CID 54990929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).