N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide

C18H22N2O2 — CID 8833236

IUPACN-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
SMILESCOc1ccc(CNC(=O)CCNc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14-3-7-16(8-4-14)19-12-11-18(21)20-13-15-5-9-17(22-2)10-6-15/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKeyVNGRTNAIVLLGTL-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.12
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide

N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide (PubChem CID 8833236) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
PubChem CID8833236
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
SMILESCOc1ccc(CNC(=O)CCNc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14-3-7-16(8-4-14)19-12-11-18(21)20-13-15-5-9-17(22-2)10-6-15/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKeyVNGRTNAIVLLGTL-UHFFFAOYSA-N
XLogP3.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019825
3-anilino-N-[(4-methylphenyl)methyl]propanamide
CID 109019803
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
3-(2-methoxy-5-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 47877777
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 26695901
4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 20969140
3-(4-methoxyanilino)-N-propylpropanamide
CID 109011414
3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019889
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide (CID 8833236) is N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide is COc1ccc(CNC(=O)CCNc2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide?
The InChIKey is VNGRTNAIVLLGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-3-7-16(8-4-14)19-12-11-18(21)20-13-15-5-9-17(22-2)10-6-15/h3-10,19H,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide?
N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide is sourced from PubChem (CID 8833236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).