3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride

C18H23ClN2O2 — CID 119721111

IUPAC3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2cccc(N)c2)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-12(2)22-17-9-5-6-14(11-17)13(3)20-18(21)15-7-4-8-16(19)10-15;/h4-13H,19H2,1-3H3,(H,20,21);1H
InChIKeyWNRFAHAOUQATGZ-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.97
Rot. Bonds5

About 3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride

3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride (PubChem CID 119721111) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
PubChem CID119721111
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2cccc(N)c2)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-12(2)22-17-9-5-6-14(11-17)13(3)20-18(21)15-7-4-8-16(19)10-15;/h4-13H,19H2,1-3H3,(H,20,21);1H
InChIKeyWNRFAHAOUQATGZ-UHFFFAOYSA-N
XLogP3.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide
CID 78949901
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688
N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide
CID 55717538
N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide
CID 43297646
3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55743462
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119732117

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride (CID 119721111) is 3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride is CC(C)Oc1cccc(C(C)NC(=O)c2cccc(N)c2)c1.Cl.
What is the InChIKey of 3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride?
The InChIKey is WNRFAHAOUQATGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-12(2)22-17-9-5-6-14(11-17)13(3)20-18(21)15-7-4-8-16(19)10-15;/h4-13H,19H2,1-3H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride?
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119721111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).