N-(1-cyanoethyl)-4-methoxybenzamide

C11H12N2O2 — CID 61119459

IUPACN-(1-cyanoethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)C#N)cc1
InChIInChI=1S/C11H12N2O2/c1-8(7-12)13-11(14)9-3-5-10(15-2)6-4-9/h3-6,8H,1-2H3,(H,13,14)
InChIKeyVGGCSAIZQPSIAI-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.34
Rot. Bonds3

About N-(1-cyanoethyl)-4-methoxybenzamide

N-(1-cyanoethyl)-4-methoxybenzamide (PubChem CID 61119459) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(1-cyanoethyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-4-methoxybenzamide
PubChem CID61119459
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-(1-cyanoethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)C#N)cc1
InChIInChI=1S/C11H12N2O2/c1-8(7-12)13-11(14)9-3-5-10(15-2)6-4-9/h3-6,8H,1-2H3,(H,13,14)
InChIKeyVGGCSAIZQPSIAI-UHFFFAOYSA-N
XLogP1.34
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanoethyl)-4-propan-2-ylbenzamide
CID 61121040
N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide
CID 63820678
N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide
CID 55207961
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanedioic acid
CID 54549450
N-(1-cyanoethyl)-3,4-difluorobenzamide
CID 61119063
methyl (2S,3R)-3-hydroxy-2-[(4-methoxybenzoyl)amino]butanoate
CID 11230931
4-methoxy-N-penta-1,4-dien-3-ylbenzamide
CID 138979446
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide
CID 61121839
4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide
CID 51602914
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-4-methoxybenzamide?
The IUPAC name of N-(1-cyanoethyl)-4-methoxybenzamide (CID 61119459) is N-(1-cyanoethyl)-4-methoxybenzamide.
What is the SMILES notation for N-(1-cyanoethyl)-4-methoxybenzamide?
The canonical SMILES for N-(1-cyanoethyl)-4-methoxybenzamide is COc1ccc(C(=O)NC(C)C#N)cc1.
What is the InChIKey of N-(1-cyanoethyl)-4-methoxybenzamide?
The InChIKey is VGGCSAIZQPSIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(7-12)13-11(14)9-3-5-10(15-2)6-4-9/h3-6,8H,1-2H3,(H,13,14).
What are the key properties of N-(1-cyanoethyl)-4-methoxybenzamide?
N-(1-cyanoethyl)-4-methoxybenzamide has a molecular weight of 204.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-4-methoxybenzamide is sourced from PubChem (CID 61119459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).