N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide

C16H26N2O4 — CID 119997065

IUPACN-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(C)CN)c(OC)c1OC
InChIInChI=1S/C16H26N2O4/c1-11(9-17)10-18-14(19)8-6-12-5-7-13(20-2)16(22-4)15(12)21-3/h5,7,11H,6,8-10,17H2,1-4H3,(H,18,19)
InChIKeyPXOLTJOTFGIYJE-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.36
Rot. Bonds9

About N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide

N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 119997065) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID119997065
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(C)CN)c(OC)c1OC
InChIInChI=1S/C16H26N2O4/c1-11(9-17)10-18-14(19)8-6-12-5-7-13(20-2)16(22-4)15(12)21-3/h5,7,11H,6,8-10,17H2,1-4H3,(H,18,19)
InChIKeyPXOLTJOTFGIYJE-UHFFFAOYSA-N
XLogP1.36
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119630582
N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 52507353
N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119643835
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide
CID 115271746
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560098
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
CID 119285338
N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 115267431
N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55882512
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide (CID 119997065) is N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC(C)CN)c(OC)c1OC.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is PXOLTJOTFGIYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-11(9-17)10-18-14(19)8-6-12-5-7-13(20-2)16(22-4)15(12)21-3/h5,7,11H,6,8-10,17H2,1-4H3,(H,18,19).
What are the key properties of N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide?
N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 310.39 g/mol, XLogP of 1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 119997065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).