N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride

C18H21ClN2O3 — CID 119421075

IUPACN-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)c2ccc(OCC3CC3)cc2)c1.Cl
InChIInChI=1S/C18H20N2O3.ClH/c1-22-15-8-9-16(19)17(10-15)20-18(21)13-4-6-14(7-5-13)23-11-12-2-3-12;/h4-10,12H,2-3,11,19H2,1H3,(H,20,21);1H
InChIKeyKOSCFWCVTSPUQH-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.74
Rot. Bonds6

About N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride

N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride (PubChem CID 119421075) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride
PubChem CID119421075
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride
SMILESCOc1ccc(N)c(NC(=O)c2ccc(OCC3CC3)cc2)c1.Cl
InChIInChI=1S/C18H20N2O3.ClH/c1-22-15-8-9-16(19)17(10-15)20-18(21)13-4-6-14(7-5-13)23-11-12-2-3-12;/h4-10,12H,2-3,11,19H2,1H3,(H,20,21);1H
InChIKeyKOSCFWCVTSPUQH-UHFFFAOYSA-N
XLogP3.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 119214222
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide
CID 119421219
N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119420648
N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
N-(2-amino-5-methoxyphenyl)-4-chloro-3-methylbenzamide
CID 115736440
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119439579
N-[2-amino-5-(4-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736664
4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 119325256

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride (CID 119421075) is N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride is COc1ccc(N)c(NC(=O)c2ccc(OCC3CC3)cc2)c1.Cl.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride?
The InChIKey is KOSCFWCVTSPUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3.ClH/c1-22-15-8-9-16(19)17(10-15)20-18(21)13-4-6-14(7-5-13)23-11-12-2-3-12;/h4-10,12H,2-3,11,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride?
N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride is sourced from PubChem (CID 119421075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).