N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide

C16H22N2O4 — CID 95383426

IUPACN-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCC[C@H](C#N)NC(=O)CCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H22N2O4/c1-5-12(10-17)18-14(19)9-7-11-6-8-13(20-2)16(22-4)15(11)21-3/h6,8,12H,5,7,9H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyNEAYMDFINVCUIV-GFCCVEGCSA-N
MW306.36 g/mol
LogP2.06
Rot. Bonds8

About N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide

N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 95383426) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID95383426
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCC[C@H](C#N)NC(=O)CCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H22N2O4/c1-5-12(10-17)18-14(19)9-7-11-6-8-13(20-2)16(22-4)15(11)21-3/h6,8,12H,5,7,9H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyNEAYMDFINVCUIV-GFCCVEGCSA-N
XLogP2.06
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-[(1S)-1-cyanopropyl]propanamide
CID 95286071
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119997065
N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119440825
N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18089547
N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119630582
N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119643835
N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55882512
N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 121176307
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55881030
N-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55883007

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide (CID 95383426) is N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide is CC[C@H](C#N)NC(=O)CCc1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is NEAYMDFINVCUIV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-5-12(10-17)18-14(19)9-7-11-6-8-13(20-2)16(22-4)15(11)21-3/h6,8,12H,5,7,9H2,1-4H3,(H,18,19)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 306.36 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 95383426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).