1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride

C19H23ClN2O2 — CID 119754394

IUPAC1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccc(COCCc3ccccc3)c2)CC1
InChIInChI=1S/C19H22N2O2.ClH/c20-19(10-11-19)18(22)21-17-8-4-7-16(13-17)14-23-12-9-15-5-2-1-3-6-15;/h1-8,13H,9-12,14,20H2,(H,21,22);1H
InChIKeyGHNVXXFSODYTNQ-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.30
Rot. Bonds7

About 1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119754394) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119754394
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccc(COCCc3ccccc3)c2)CC1
InChIInChI=1S/C19H22N2O2.ClH/c20-19(10-11-19)18(22)21-17-8-4-7-16(13-17)14-23-12-9-15-5-2-1-3-6-15;/h1-8,13H,9-12,14,20H2,(H,21,22);1H
InChIKeyGHNVXXFSODYTNQ-UHFFFAOYSA-N
XLogP3.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 119306444
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CID 119288741
1-amino-N-[4-(3-phenylpropyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
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2-(cyclopropylmethylamino)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide;hydrochloride
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1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
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1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119306290
2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride
CID 119306590
2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide
CID 120790252
2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid
CID 166380689
(2S)-2-amino-4-methylsulfanyl-N-[3-(2-phenylethoxymethyl)phenyl]butanamide
CID 119306583
3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
CID 64894149
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119308070

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 119754394) is 1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2cccc(COCCc3ccccc3)c2)CC1.
What is the InChIKey of 1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is GHNVXXFSODYTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c20-19(10-11-19)18(22)21-17-8-4-7-16(13-17)14-23-12-9-15-5-2-1-3-6-15;/h1-8,13H,9-12,14,20H2,(H,21,22);1H.
What are the key properties of 1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119754394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).