N-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide

C30H29NO2 — CID 142081798

IUPACN-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide
SMILESCc1ccccc1Cc1ccccc1NC(=O)C(C)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C30H29NO2/c1-22-11-6-7-14-25(22)19-27-15-8-9-18-29(27)31-30(32)23(2)26-16-10-17-28(20-26)33-21-24-12-4-3-5-13-24/h3-18,20,23H,19,21H2,1-2H3,(H,31,32)
InChIKeyNAQMHTFJKPCVQO-UHFFFAOYSA-N
MW435.57 g/mol
LogP6.91
Rot. Bonds8

About N-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide

N-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide (PubChem CID 142081798) has the molecular formula C30H29NO2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide
PubChem CID142081798
Molecular FormulaC30H29NO2
Molecular Weight435.57 g/mol
Exact Mass435.22
IUPAC NameN-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide
SMILESCc1ccccc1Cc1ccccc1NC(=O)C(C)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C30H29NO2/c1-22-11-6-7-14-25(22)19-27-15-8-9-18-29(27)31-30(32)23(2)26-16-10-17-28(20-26)33-21-24-12-4-3-5-13-24/h3-18,20,23H,19,21H2,1-2H3,(H,31,32)
InChIKeyNAQMHTFJKPCVQO-UHFFFAOYSA-N
XLogP6.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10519489
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide
CID 54789941
N-(2-ethylphenyl)-3-phenylmethoxybenzamide
CID 801132
2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 22241425
2-[[4-[[2-(2-phenylpropanoylamino)phenoxy]methyl]phenyl]methyl]benzoic acid
CID 174471570
methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
CID 22241445
ethane;2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 142024512
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
CID 66912833

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide?
The IUPAC name of N-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide (CID 142081798) is N-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide?
The canonical SMILES for N-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide is Cc1ccccc1Cc1ccccc1NC(=O)C(C)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide?
The InChIKey is NAQMHTFJKPCVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO2/c1-22-11-6-7-14-25(22)19-27-15-8-9-18-29(27)31-30(32)23(2)26-16-10-17-28(20-26)33-21-24-12-4-3-5-13-24/h3-18,20,23H,19,21H2,1-2H3,(H,31,32).
What are the key properties of N-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide?
N-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide has a molecular weight of 435.57 g/mol, XLogP of 6.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylphenyl)methyl]phenyl]-2-(3-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 142081798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).