N-(1-cyano-2-methoxyethyl)benzamide

C11H12N2O2 — CID 70426540

IUPACN-(1-cyano-2-methoxyethyl)benzamide
SMILESCOCC(C#N)NC(=O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-15-8-10(7-12)13-11(14)9-5-3-2-4-6-9/h2-6,10H,8H2,1H3,(H,13,14)
InChIKeyKHXUVAWTPVXHPD-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.95
Rot. Bonds4

About N-(1-cyano-2-methoxyethyl)benzamide

N-(1-cyano-2-methoxyethyl)benzamide (PubChem CID 70426540) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(1-cyano-2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-(1-cyano-2-methoxyethyl)benzamide
PubChem CID70426540
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-(1-cyano-2-methoxyethyl)benzamide
SMILESCOCC(C#N)NC(=O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-15-8-10(7-12)13-11(14)9-5-3-2-4-6-9/h2-6,10H,8H2,1H3,(H,13,14)
InChIKeyKHXUVAWTPVXHPD-UHFFFAOYSA-N
XLogP0.95
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
N-(1-cyano-2-methoxyethyl)acetamide
CID 127014883
N-(4-chloro-1-methoxybutan-2-yl)benzamide
CID 106154813
(2R)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-phenylpropanamide
CID 98449804
N-[1-(cyanomethylamino)-1-oxo-4-phenoxybutan-2-yl]benzamide
CID 18421801
N-[(1R)-2-(methoxymethoxy)-1-phenylethyl]benzamide
CID 101131484
4-benzamido-N-(1-methoxypropan-2-yl)benzamide
CID 17153292
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide
CID 582713
N-(1-methoxypropyl)benzamide
CID 102478557
N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 42988908

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methoxyethyl)benzamide?
The IUPAC name of N-(1-cyano-2-methoxyethyl)benzamide (CID 70426540) is N-(1-cyano-2-methoxyethyl)benzamide.
What is the SMILES notation for N-(1-cyano-2-methoxyethyl)benzamide?
The canonical SMILES for N-(1-cyano-2-methoxyethyl)benzamide is COCC(C#N)NC(=O)c1ccccc1.
What is the InChIKey of N-(1-cyano-2-methoxyethyl)benzamide?
The InChIKey is KHXUVAWTPVXHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-8-10(7-12)13-11(14)9-5-3-2-4-6-9/h2-6,10H,8H2,1H3,(H,13,14).
What are the key properties of N-(1-cyano-2-methoxyethyl)benzamide?
N-(1-cyano-2-methoxyethyl)benzamide has a molecular weight of 204.23 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methoxyethyl)benzamide is sourced from PubChem (CID 70426540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).