N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C31H31F3N2O — CID 59516678

IUPACN-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1ccc(CN(Cc2ccc(C(F)(F)F)cc2)C(=O)CCN[C@H](C)c2cccc3ccccc23)cc1
InChIInChI=1S/C31H31F3N2O/c1-22-10-12-24(13-11-22)20-36(21-25-14-16-27(17-15-25)31(32,33)34)30(37)18-19-35-23(2)28-9-5-7-26-6-3-4-8-29(26)28/h3-17,23,35H,18-21H2,1-2H3/t23-/m1/s1
InChIKeyACNJBHXDLRPGFI-HSZRJFAPSA-N
MW504.60 g/mol
LogP7.44
Rot. Bonds9

About N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 59516678) has the molecular formula C31H31F3N2O and a molecular weight of 504.60 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID59516678
Molecular FormulaC31H31F3N2O
Molecular Weight504.60 g/mol
Exact Mass504.24
IUPAC NameN-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1ccc(CN(Cc2ccc(C(F)(F)F)cc2)C(=O)CCN[C@H](C)c2cccc3ccccc23)cc1
InChIInChI=1S/C31H31F3N2O/c1-22-10-12-24(13-11-22)20-36(21-25-14-16-27(17-15-25)31(32,33)34)30(37)18-19-35-23(2)28-9-5-7-26-6-3-4-8-29(26)28/h3-17,23,35H,18-21H2,1-2H3/t23-/m1/s1
InChIKeyACNJBHXDLRPGFI-HSZRJFAPSA-N
XLogP7.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.60
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
CID 59516668
N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-(1-naphthalen-1-ylethylamino)propanamide
CID 22327602
(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221
2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 89022612
N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 61259107
N-[(1R)-1-naphthalen-1-ylethyl]-3-[2,3,4,6-tetradeuterio-5-(trifluoromethyl)phenyl]propan-1-amine
CID 46241260
N-(4-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396986
N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide
CID 8701479
3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 50993016
1-naphthalen-1-yl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
CID 56679583
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 112800999
2-[[2-methyl-2-[4-[3-(1-naphthalen-1-ylethylamino)propyl]phenyl]propanoyl]amino]acetic acid
CID 67287623

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 59516678) is N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is Cc1ccc(CN(Cc2ccc(C(F)(F)F)cc2)C(=O)CCN[C@H](C)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is ACNJBHXDLRPGFI-HSZRJFAPSA-N. The full InChI is InChI=1S/C31H31F3N2O/c1-22-10-12-24(13-11-22)20-36(21-25-14-16-27(17-15-25)31(32,33)34)30(37)18-19-35-23(2)28-9-5-7-26-6-3-4-8-29(26)28/h3-17,23,35H,18-21H2,1-2H3/t23-/m1/s1.
What are the key properties of N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 504.60 g/mol, XLogP of 7.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 59516678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).