N-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide

C15H20N2O — CID 61224496

IUPACN-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide
SMILESCCCN(CC#N)C(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-4-11-17(12-10-16)14(18)15(2,3)13-8-6-5-7-9-13/h5-9H,4,11-12H2,1-3H3
InChIKeyNGOFJXZNYDKEOO-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.73
Rot. Bonds5

About N-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide

N-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide (PubChem CID 61224496) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide
PubChem CID61224496
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide
SMILESCCCN(CC#N)C(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-4-11-17(12-10-16)14(18)15(2,3)13-8-6-5-7-9-13/h5-9H,4,11-12H2,1-3H3
InChIKeyNGOFJXZNYDKEOO-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-phenylsulfanyl-N-propylacetamide
CID 78968777
N-(cyanomethyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80741251
2-amino-N-(2-hydroxyethyl)-2-phenyl-N-propylpropanamide
CID 62487886
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methyl-2-phenylpropanamide
CID 79668566
4-benzamido-N-(cyanomethyl)-N-propylbenzamide
CID 52729751
2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide
CID 60806254
N-(2-aminoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107493677
N-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107492581
N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide
CID 54990418
3-[bis(cyanomethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813360
3-amino-N-benzyl-N-(cyanomethyl)-2,2-dimethylpropanamide
CID 115426492
3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea
CID 113213255

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide?
The IUPAC name of N-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide (CID 61224496) is N-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide.
What is the SMILES notation for N-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide?
The canonical SMILES for N-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide is CCCN(CC#N)C(=O)C(C)(C)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide?
The InChIKey is NGOFJXZNYDKEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-11-17(12-10-16)14(18)15(2,3)13-8-6-5-7-9-13/h5-9H,4,11-12H2,1-3H3.
What are the key properties of N-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide?
N-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide has a molecular weight of 244.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide is sourced from PubChem (CID 61224496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).