N-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide

C27H30N2O2 — CID 141116087

IUPACN-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(N(CC)C(=O)CC)cc2-c2ccccc2)cc1
InChIInChI=1S/C27H30N2O2/c1-5-26(30)28(4)22-15-13-21(14-16-22)24-18-17-23(29(7-3)27(31)6-2)19-25(24)20-11-9-8-10-12-20/h8-19H,5-7H2,1-4H3
InChIKeyJJKCMTCLVQTWJD-UHFFFAOYSA-N
MW414.55 g/mol
LogP6.16
Rot. Bonds7

About N-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide

N-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide (PubChem CID 141116087) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide
PubChem CID141116087
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC NameN-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(N(CC)C(=O)CC)cc2-c2ccccc2)cc1
InChIInChI=1S/C27H30N2O2/c1-5-26(30)28(4)22-15-13-21(14-16-22)24-18-17-23(29(7-3)27(31)6-2)19-25(24)20-11-9-8-10-12-20/h8-19H,5-7H2,1-4H3
InChIKeyJJKCMTCLVQTWJD-UHFFFAOYSA-N
XLogP6.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-methyl-N-(4-phenylphenyl)acetamide
CID 115139692
N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]propanamide
CID 70876708
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
N-benzyl-N-(3,4-dihydroxyphenyl)propanamide
CID 67853659
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine
CID 155010301
N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665820
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide (CID 141116087) is N-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(N(CC)C(=O)CC)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide?
The InChIKey is JJKCMTCLVQTWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-5-26(30)28(4)22-15-13-21(14-16-22)24-18-17-23(29(7-3)27(31)6-2)19-25(24)20-11-9-8-10-12-20/h8-19H,5-7H2,1-4H3.
What are the key properties of N-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide?
N-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide has a molecular weight of 414.55 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[ethyl(propanoyl)amino]-2-phenylphenyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 141116087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).