N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide

C24H25NO2 — CID 60546055

IUPACN-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide
SMILESCc1ccc(C(NC(=O)CCOCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NO2/c1-19-12-14-22(15-13-19)24(21-10-6-3-7-11-21)25-23(26)16-17-27-18-20-8-4-2-5-9-20/h2-15,24H,16-18H2,1H3,(H,25,26)
InChIKeyMTGBWAMWGVAWSB-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.81
Rot. Bonds8

About N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide

N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide (PubChem CID 60546055) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide
PubChem CID60546055
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC NameN-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide
SMILESCc1ccc(C(NC(=O)CCOCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NO2/c1-19-12-14-22(15-13-19)24(21-10-6-3-7-11-21)25-23(26)16-17-27-18-20-8-4-2-5-9-20/h2-15,24H,16-18H2,1H3,(H,25,26)
InChIKeyMTGBWAMWGVAWSB-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide
CID 16549377
3-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 92675402
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
CID 30390615
3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133186877
N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide
CID 87023948
(2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119363955
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
3-(1,3-dioxoisoindol-2-yl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797989
4-methoxy-2-(3-phenylmethoxypropanoylamino)butanoic acid
CID 120702080
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797996

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide?
The IUPAC name of N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide (CID 60546055) is N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide.
What is the SMILES notation for N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide?
The canonical SMILES for N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide is Cc1ccc(C(NC(=O)CCOCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide?
The InChIKey is MTGBWAMWGVAWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-19-12-14-22(15-13-19)24(21-10-6-3-7-11-21)25-23(26)16-17-27-18-20-8-4-2-5-9-20/h2-15,24H,16-18H2,1H3,(H,25,26).
What are the key properties of N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide?
N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide has a molecular weight of 359.47 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide is sourced from PubChem (CID 60546055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).