3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride

C19H23ClN2O2 — CID 120610801

IUPAC3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)Nc1ccc(OCC2CC2)cc1
InChIInChI=1S/C19H22N2O2.ClH/c20-18-4-2-1-3-15(18)7-12-19(22)21-16-8-10-17(11-9-16)23-13-14-5-6-14;/h1-4,8-11,14H,5-7,12-13,20H2,(H,21,22);1H
InChIKeyGFBWVYFKTUFHTG-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.05
Rot. Bonds7

About 3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride (PubChem CID 120610801) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride
PubChem CID120610801
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)Nc1ccc(OCC2CC2)cc1
InChIInChI=1S/C19H22N2O2.ClH/c20-18-4-2-1-3-15(18)7-12-19(22)21-16-8-10-17(11-9-16)23-13-14-5-6-14;/h1-4,8-11,14H,5-7,12-13,20H2,(H,21,22);1H
InChIKeyGFBWVYFKTUFHTG-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-[3-(2-aminophenyl)propanoylamino]phenoxy]propanoate
CID 120610132
3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide
CID 54795522
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
CID 120608448
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide
CID 119951561
3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 54795447
N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 120613024
3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 107272723
3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 120608573
3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 120612232
4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride
CID 120608128
3-(2-aminophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240805

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride (CID 120610801) is 3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride is Cl.Nc1ccccc1CCC(=O)Nc1ccc(OCC2CC2)cc1.
What is the InChIKey of 3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is GFBWVYFKTUFHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c20-18-4-2-1-3-15(18)7-12-19(22)21-16-8-10-17(11-9-16)23-13-14-5-6-14;/h1-4,8-11,14H,5-7,12-13,20H2,(H,21,22);1H.
What are the key properties of 3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120610801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).