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

C16H27ClN2O4 — CID 119630582

IUPACN-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)NCC(C)(C)N)c(OC)c1OC.Cl
InChIInChI=1S/C16H26N2O4.ClH/c1-16(2,17)10-18-13(19)9-7-11-6-8-12(20-3)15(22-5)14(11)21-4;/h6,8H,7,9-10,17H2,1-5H3,(H,18,19);1H
InChIKeySDPSNWTXKXOZCN-UHFFFAOYSA-N
MW346.86 g/mol
LogP1.92
Rot. Bonds8

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

N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride (PubChem CID 119630582) has the molecular formula C16H27ClN2O4 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
PubChem CID119630582
Molecular FormulaC16H27ClN2O4
Molecular Weight346.86 g/mol
Exact Mass346.17
IUPAC NameN-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)NCC(C)(C)N)c(OC)c1OC.Cl
InChIInChI=1S/C16H26N2O4.ClH/c1-16(2,17)10-18-13(19)9-7-11-6-8-12(20-3)15(22-5)14(11)21-4;/h6,8H,7,9-10,17H2,1-5H3,(H,18,19);1H
InChIKeySDPSNWTXKXOZCN-UHFFFAOYSA-N
XLogP1.92
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119643835
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-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55882512
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560098
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
CID 119285338
N-(2-amino-2-methylpropyl)-2-(2,6-dimethoxyphenyl)acetamide;hydrochloride
CID 119628885
N-(2-amino-2-ethylbutyl)-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119640254
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55881030
N-[(4-phenylmethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871682

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride (CID 119630582) is N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride is COc1ccc(CCC(=O)NCC(C)(C)N)c(OC)c1OC.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
The InChIKey is SDPSNWTXKXOZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4.ClH/c1-16(2,17)10-18-13(19)9-7-11-6-8-12(20-3)15(22-5)14(11)21-4;/h6,8H,7,9-10,17H2,1-5H3,(H,18,19);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride?
N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119630582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).