N-(1-cyanobutyl)-3-propan-2-yloxybenzamide

C15H20N2O2 — CID 62921514

IUPACN-(1-cyanobutyl)-3-propan-2-yloxybenzamide
SMILESCCCC(C#N)NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H20N2O2/c1-4-6-13(10-16)17-15(18)12-7-5-8-14(9-12)19-11(2)3/h5,7-9,11,13H,4,6H2,1-3H3,(H,17,18)
InChIKeyWJQABJKNYCZBQO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.90
Rot. Bonds6

About N-(1-cyanobutyl)-3-propan-2-yloxybenzamide

N-(1-cyanobutyl)-3-propan-2-yloxybenzamide (PubChem CID 62921514) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1-cyanobutyl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-3-propan-2-yloxybenzamide
PubChem CID62921514
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(1-cyanobutyl)-3-propan-2-yloxybenzamide
SMILESCCCC(C#N)NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H20N2O2/c1-4-6-13(10-16)17-15(18)12-7-5-8-14(9-12)19-11(2)3/h5,7-9,11,13H,4,6H2,1-3H3,(H,17,18)
InChIKeyWJQABJKNYCZBQO-UHFFFAOYSA-N
XLogP2.90
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
N-(1-cyanobutyl)-3-methylsulfonylbenzamide
CID 61121684
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide
CID 76977889
N-[(1S)-1-cyanobutyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 95284180
N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide
CID 106115912
4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid
CID 62921331
N-(1-cyanopropyl)-3-iodobenzamide
CID 55137319
phenyl N-(1-cyanobutyl)carbamate
CID 61122017
methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate
CID 62919485
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689
3-amino-N-hex-1-yn-3-ylbenzamide
CID 106223490
2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one
CID 116574589

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(1-cyanobutyl)-3-propan-2-yloxybenzamide (CID 62921514) is N-(1-cyanobutyl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(1-cyanobutyl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(1-cyanobutyl)-3-propan-2-yloxybenzamide is CCCC(C#N)NC(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-(1-cyanobutyl)-3-propan-2-yloxybenzamide?
The InChIKey is WJQABJKNYCZBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-6-13(10-16)17-15(18)12-7-5-8-14(9-12)19-11(2)3/h5,7-9,11,13H,4,6H2,1-3H3,(H,17,18).
What are the key properties of N-(1-cyanobutyl)-3-propan-2-yloxybenzamide?
N-(1-cyanobutyl)-3-propan-2-yloxybenzamide has a molecular weight of 260.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 62921514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).