5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride

C20H27ClN2O3 — CID 120633106

IUPAC5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride
SMILESCCOc1cc(CCCNC(=O)c2cc(N)ccc2C)ccc1OC.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-4-25-19-12-15(8-10-18(19)24-3)6-5-11-22-20(23)17-13-16(21)9-7-14(17)2;/h7-10,12-13H,4-6,11,21H2,1-3H3,(H,22,23);1H
InChIKeyDPXHCRURYFISHX-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.77
Rot. Bonds8

About 5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride

5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride (PubChem CID 120633106) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride
PubChem CID120633106
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride
SMILESCCOc1cc(CCCNC(=O)c2cc(N)ccc2C)ccc1OC.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-4-25-19-12-15(8-10-18(19)24-3)6-5-11-22-20(23)17-13-16(21)9-7-14(17)2;/h7-10,12-13H,4-6,11,21H2,1-3H3,(H,22,23);1H
InChIKeyDPXHCRURYFISHX-UHFFFAOYSA-N
XLogP3.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 143080123
5-amino-N-butyl-2-ethoxybenzamide
CID 28689998
5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride
CID 120623370
5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide
CID 120630743
2-(aminomethyl)-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119786408
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide
CID 100641388
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine
CID 111812363
3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119786388
2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 119781593
5-amino-2-methyl-N-(5-phenylpentyl)benzamide;hydrochloride
CID 120630670

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride (CID 120633106) is 5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride is CCOc1cc(CCCNC(=O)c2cc(N)ccc2C)ccc1OC.Cl.
What is the InChIKey of 5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride?
The InChIKey is DPXHCRURYFISHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.ClH/c1-4-25-19-12-15(8-10-18(19)24-3)6-5-11-22-20(23)17-13-16(21)9-7-14(17)2;/h7-10,12-13H,4-6,11,21H2,1-3H3,(H,22,23);1H.
What are the key properties of 5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride?
5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120633106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).