N-[methoxy-(4-methylphenyl)methyl]benzamide

C16H17NO2 — CID 56590583

IUPACN-[methoxy-(4-methylphenyl)methyl]benzamide
SMILESCOC(NC(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H17NO2/c1-12-8-10-14(11-9-12)16(19-2)17-15(18)13-6-4-3-5-7-13/h3-11,16H,1-2H3,(H,17,18)
InChIKeyZJAHRDGWRQVTPJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.07
Rot. Bonds4

About N-[methoxy-(4-methylphenyl)methyl]benzamide

N-[methoxy-(4-methylphenyl)methyl]benzamide (PubChem CID 56590583) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[methoxy-(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[methoxy-(4-methylphenyl)methyl]benzamide
PubChem CID56590583
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[methoxy-(4-methylphenyl)methyl]benzamide
SMILESCOC(NC(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H17NO2/c1-12-8-10-14(11-9-12)16(19-2)17-15(18)13-6-4-3-5-7-13/h3-11,16H,1-2H3,(H,17,18)
InChIKeyZJAHRDGWRQVTPJ-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-benzamidoethyl Benzoate
CID 5131781
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058
N-[(benzyloxy)carbonyl]-L-leucyl-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-L-alaninamide
CID 145865297
4-((((Benzyloxy)carbonyl)amino)methyl)benzoic acid
CID 1479997
Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester
CID 81781
benzyl N-{4-[(methylamino)carbonyl]benzyl}carbamate
CID 1480002
N-benzhydryl-4-(hydroxymethyl)benzamide
CID 2451102
Methyl4-{[(adamantan-1-yl)formamido]methyl}benzoate
CID 4472628
N-isopropyl-4-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 891620
Methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate
CID 4808058
[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 9932430
4-((4-tert-Butylbenzamido)methyl)benzoic acid
CID 17360242

Frequently Asked Questions

What is the IUPAC name of N-[methoxy-(4-methylphenyl)methyl]benzamide?
The IUPAC name of N-[methoxy-(4-methylphenyl)methyl]benzamide (CID 56590583) is N-[methoxy-(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for N-[methoxy-(4-methylphenyl)methyl]benzamide?
The canonical SMILES for N-[methoxy-(4-methylphenyl)methyl]benzamide is COC(NC(=O)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-[methoxy-(4-methylphenyl)methyl]benzamide?
The InChIKey is ZJAHRDGWRQVTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-8-10-14(11-9-12)16(19-2)17-15(18)13-6-4-3-5-7-13/h3-11,16H,1-2H3,(H,17,18).
What are the key properties of N-[methoxy-(4-methylphenyl)methyl]benzamide?
N-[methoxy-(4-methylphenyl)methyl]benzamide has a molecular weight of 255.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methoxy-(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 56590583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).