N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride

C18H31ClN2O4 — CID 119643835

IUPACN-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCc1ccc(OC)c(OC)c1OC.Cl
InChIInChI=1S/C18H30N2O4.ClH/c1-6-18(19,7-2)12-20-15(21)11-9-13-8-10-14(22-3)17(24-5)16(13)23-4;/h8,10H,6-7,9,11-12,19H2,1-5H3,(H,20,21);1H
InChIKeyFJUGVKLHYMTEEP-UHFFFAOYSA-N
MW374.91 g/mol
LogP2.70
Rot. Bonds10

About N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride (PubChem CID 119643835) has the molecular formula C18H31ClN2O4 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
PubChem CID119643835
Molecular FormulaC18H31ClN2O4
Molecular Weight374.91 g/mol
Exact Mass374.20
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCc1ccc(OC)c(OC)c1OC.Cl
InChIInChI=1S/C18H30N2O4.ClH/c1-6-18(19,7-2)12-20-15(21)11-9-13-8-10-14(22-3)17(24-5)16(13)23-4;/h8,10H,6-7,9,11-12,19H2,1-5H3,(H,20,21);1H
InChIKeyFJUGVKLHYMTEEP-UHFFFAOYSA-N
XLogP2.70
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119630582
N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119640254
N-(2-amino-2-ethylbutyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 119639750
N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119643560
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119997065
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119642284
N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride
CID 119643020
N-(2-amino-2-ethylbutyl)-2-(5-chloro-2-methoxyphenyl)acetamide
CID 119639672
N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55882512
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560098

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride (CID 119643835) is N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride is CCC(N)(CC)CNC(=O)CCc1ccc(OC)c(OC)c1OC.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
The InChIKey is FJUGVKLHYMTEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4.ClH/c1-6-18(19,7-2)12-20-15(21)11-9-13-8-10-14(22-3)17(24-5)16(13)23-4;/h8,10H,6-7,9,11-12,19H2,1-5H3,(H,20,21);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119643835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).