N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide

C18H21N3O2 — CID 143641353

IUPACN'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)Nc2ccc(CN)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-2-6-15(7-3-13)20-17(22)10-11-18(23)21-16-8-4-14(12-19)5-9-16/h2-9H,10-12,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyPBFXXXADGWVWCT-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.81
Rot. Bonds6

About N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide

N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide (PubChem CID 143641353) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
PubChem CID143641353
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)Nc2ccc(CN)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-2-6-15(7-3-13)20-17(22)10-11-18(23)21-16-8-4-14(12-19)5-9-16/h2-9H,10-12,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyPBFXXXADGWVWCT-UHFFFAOYSA-N
XLogP2.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-[4-(2-aminoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 62301337
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 155375566
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162
N-[4-(aminomethyl)phenyl]-3-tert-butylsulfinylpropanamide
CID 81329230
ethyl N-[4-[4-(aminomethyl)anilino]-4-oxobutyl]carbamate
CID 163196881
N-(4-methylphenyl)pentanamide
CID 3662375
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861

Frequently Asked Questions

What is the IUPAC name of N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide?
The IUPAC name of N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide (CID 143641353) is N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide.
What is the SMILES notation for N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide?
The canonical SMILES for N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide is Cc1ccc(NC(=O)CCC(=O)Nc2ccc(CN)cc2)cc1.
What is the InChIKey of N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide?
The InChIKey is PBFXXXADGWVWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-2-6-15(7-3-13)20-17(22)10-11-18(23)21-16-8-4-14(12-19)5-9-16/h2-9H,10-12,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide?
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide has a molecular weight of 311.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide is sourced from PubChem (CID 143641353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).