N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide

C31H31NO3 — CID 22983764

IUPACN-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide
SMILESCc1ccc(COc2ccc(CN(OCc3ccccc3)C(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C31H31NO3/c1-25-12-14-29(15-13-25)23-34-30-19-16-27(17-20-30)22-32(35-24-28-10-6-3-7-11-28)31(33)21-18-26-8-4-2-5-9-26/h2-17,19-20H,18,21-24H2,1H3
InChIKeyCRJCYQIPRWDHAA-UHFFFAOYSA-N
MW465.59 g/mol
LogP6.67
Rot. Bonds11

About N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide

N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide (PubChem CID 22983764) has the molecular formula C31H31NO3 and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide
PubChem CID22983764
Molecular FormulaC31H31NO3
Molecular Weight465.59 g/mol
Exact Mass465.23
IUPAC NameN-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide
SMILESCc1ccc(COc2ccc(CN(OCc3ccccc3)C(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C31H31NO3/c1-25-12-14-29(15-13-25)23-34-30-19-16-27(17-20-30)22-32(35-24-28-10-6-3-7-11-28)31(33)21-18-26-8-4-2-5-9-26/h2-17,19-20H,18,21-24H2,1H3
InChIKeyCRJCYQIPRWDHAA-UHFFFAOYSA-N
XLogP6.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 19903100
1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
N-(3-amino-3-oxopropyl)-N-(methoxymethyl)-3-(4-phenylmethoxyphenyl)propanamide
CID 173251982
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
CID 146002662
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide?
The IUPAC name of N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide (CID 22983764) is N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide.
What is the SMILES notation for N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide?
The canonical SMILES for N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide is Cc1ccc(COc2ccc(CN(OCc3ccccc3)C(=O)CCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide?
The InChIKey is CRJCYQIPRWDHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO3/c1-25-12-14-29(15-13-25)23-34-30-19-16-27(17-20-30)22-32(35-24-28-10-6-3-7-11-28)31(33)21-18-26-8-4-2-5-9-26/h2-17,19-20H,18,21-24H2,1H3.
What are the key properties of N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide?
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide has a molecular weight of 465.59 g/mol, XLogP of 6.67, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-phenyl-N-phenylmethoxypropanamide is sourced from PubChem (CID 22983764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).