2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride

C18H23ClN2O2 — CID 119944824

IUPAC2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)NCCCOCCc1ccccc1
InChIInChI=1S/C18H22N2O2.ClH/c19-17-10-5-4-9-16(17)18(21)20-12-6-13-22-14-11-15-7-2-1-3-8-15;/h1-5,7-10H,6,11-14,19H2,(H,20,21);1H
InChIKeyLLNCERWQRCCGAM-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.07
Rot. Bonds8

About 2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride

2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride (PubChem CID 119944824) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
PubChem CID119944824
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)NCCCOCCc1ccccc1
InChIInChI=1S/C18H22N2O2.ClH/c19-17-10-5-4-9-16(17)18(21)20-12-6-13-22-14-11-15-7-2-1-3-8-15;/h1-5,7-10H,6,11-14,19H2,(H,20,21);1H
InChIKeyLLNCERWQRCCGAM-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-amino-N-(3-phenylmethoxypropyl)benzamide
CID 43579724
2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308242
3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119739690
5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide
CID 47060838
2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide
CID 55889564
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
2-amino-4-bromo-N-(3-phenylpropyl)benzamide
CID 79720097
N-[3-[(2-aminobenzoyl)amino]propyl]furan-2-carboxamide
CID 24824972
2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
CID 119739688
4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide
CID 86821054

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride (CID 119944824) is 2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride is Cl.Nc1ccccc1C(=O)NCCCOCCc1ccccc1.
What is the InChIKey of 2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride?
The InChIKey is LLNCERWQRCCGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c19-17-10-5-4-9-16(17)18(21)20-12-6-13-22-14-11-15-7-2-1-3-8-15;/h1-5,7-10H,6,11-14,19H2,(H,20,21);1H.
What are the key properties of 2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride?
2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119944824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).