4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide

C25H27NO3 — CID 30390615

IUPAC4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
SMILESCOc1ccc(OCCCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27NO3/c1-19-10-12-21(13-11-19)25(20-7-4-3-5-8-20)26-24(27)9-6-18-29-23-16-14-22(28-2)15-17-23/h3-5,7-8,10-17,25H,6,9,18H2,1-2H3,(H,26,27)/t25-/m1/s1
InChIKeyJFWHVIGTBSUKPX-RUZDIDTESA-N
MW389.50 g/mol
LogP5.07
Rot. Bonds9

About 4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide

4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide (PubChem CID 30390615) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
PubChem CID30390615
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
SMILESCOc1ccc(OCCCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27NO3/c1-19-10-12-21(13-11-19)25(20-7-4-3-5-8-20)26-24(27)9-6-18-29-23-16-14-22(28-2)15-17-23/h3-5,7-8,10-17,25H,6,9,18H2,1-2H3,(H,26,27)/t25-/m1/s1
InChIKeyJFWHVIGTBSUKPX-RUZDIDTESA-N
XLogP5.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 42925489
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
methyl 3-[4-(4-methoxyphenoxy)butanoylamino]-3-phenylpropanoate
CID 46637530
N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41486489
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
2-(2,4-dimethoxyphenyl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 9464338
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide
CID 8008912
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide (CID 30390615) is 4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide is COc1ccc(OCCCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide?
The InChIKey is JFWHVIGTBSUKPX-RUZDIDTESA-N. The full InChI is InChI=1S/C25H27NO3/c1-19-10-12-21(13-11-19)25(20-7-4-3-5-8-20)26-24(27)9-6-18-29-23-16-14-22(28-2)15-17-23/h3-5,7-8,10-17,25H,6,9,18H2,1-2H3,(H,26,27)/t25-/m1/s1.
What are the key properties of 4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide?
4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide has a molecular weight of 389.50 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide is sourced from PubChem (CID 30390615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).