N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide

C17H20N2O — CID 60917944

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-2-4-14(5-3-13)10-17(20)19-12-16-8-6-15(11-18)7-9-16/h2-9H,10-12,18H2,1H3,(H,19,20)
InChIKeySDCGZVSELNGRRV-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.31
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide

N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide (PubChem CID 60917944) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
PubChem CID60917944
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-2-4-14(5-3-13)10-17(20)19-12-16-8-6-15(11-18)7-9-16/h2-9H,10-12,18H2,1H3,(H,19,20)
InChIKeySDCGZVSELNGRRV-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 81090221
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71584523
2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
CID 59915565
N-[(4-carbamothioylphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 62309630
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
N-[(4-methylphenyl)methyl]butanamide
CID 835678
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide (CID 60917944) is N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCc2ccc(CN)cc2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is SDCGZVSELNGRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-2-4-14(5-3-13)10-17(20)19-12-16-8-6-15(11-18)7-9-16/h2-9H,10-12,18H2,1H3,(H,19,20).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide?
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 60917944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).