N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine

C22H25N3O2 — CID 66894745

IUPACN-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
SMILESCNC.COc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C20H18N2O2.C2H7N/c1-24-17-10-7-15(8-11-17)20(23)22-19-13-16(9-12-18(19)21)14-5-3-2-4-6-14;1-3-2/h2-13H,21H2,1H3,(H,22,23);3H,1-2H3
InChIKeyXOUMHHDWPPAMPU-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.03
Rot. Bonds4

About N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine

N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine (PubChem CID 66894745) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
PubChem CID66894745
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
SMILESCNC.COc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C20H18N2O2.C2H7N/c1-24-17-10-7-15(8-11-17)20(23)22-19-13-16(9-12-18(19)21)14-5-3-2-4-6-14;1-3-2/h2-13H,21H2,1H3,(H,22,23);3H,1-2H3
InChIKeyXOUMHHDWPPAMPU-UHFFFAOYSA-N
XLogP4.03
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-5-(4-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736664
N-[2-amino-5-(3-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736690
(4-methoxyphenyl) N-(2-amino-5-phenylphenyl)carbamate
CID 68785591
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
CID 69002653
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
[4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid
CID 87194810
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate
CID 91362734
N-(2-amino-5-phenylphenyl)-4-azidobenzamide
CID 62706003

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine (CID 66894745) is N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine is CNC.COc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine?
The InChIKey is XOUMHHDWPPAMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2.C2H7N/c1-24-17-10-7-15(8-11-17)20(23)22-19-13-16(9-12-18(19)21)14-5-3-2-4-6-14;1-3-2/h2-13H,21H2,1H3,(H,22,23);3H,1-2H3.
What are the key properties of N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine?
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine has a molecular weight of 363.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine is sourced from PubChem (CID 66894745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).