(2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide

C41H44N2O — CID 126622329

IUPAC(2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide
SMILESC[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1)C(=O)N(C)[C@H](C)c1ccccc1
InChIInChI=1S/C41H44N2O/c1-32(41(44)42(3)33(2)37-20-12-6-13-21-37)28-40(29-34-24-26-39(27-25-34)38-22-14-7-15-23-38)43(30-35-16-8-4-9-17-35)31-36-18-10-5-11-19-36/h4-27,32-33,40H,28-31H2,1-3H3/t32-,33-,40+/m1/s1
InChIKeyPWSHREZFDKKBBP-WFXWLMSVSA-N
MW580.82 g/mol
LogP9.21
Rot. Bonds13

About (2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide

(2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide (PubChem CID 126622329) has the molecular formula C41H44N2O and a molecular weight of 580.82 g/mol. Its IUPAC name is (2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide.

Molecular Properties

Compound Name(2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide
PubChem CID126622329
Molecular FormulaC41H44N2O
Molecular Weight580.82 g/mol
Exact Mass580.35
IUPAC Name(2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide
SMILESC[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1)C(=O)N(C)[C@H](C)c1ccccc1
InChIInChI=1S/C41H44N2O/c1-32(41(44)42(3)33(2)37-20-12-6-13-21-37)28-40(29-34-24-26-39(27-25-34)38-22-14-7-15-23-38)43(30-35-16-8-4-9-17-35)31-36-18-10-5-11-19-36/h4-27,32-33,40H,28-31H2,1-3H3/t32-,33-,40+/m1/s1
InChIKeyPWSHREZFDKKBBP-WFXWLMSVSA-N
XLogP9.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.82
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide with MolForge

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Related Compounds

(4S)-4-(dibenzylamino)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-5-(4-phenylphenyl)pentanamide
CID 145264220
(2S)-4-(dibenzylamino)-5-(4-phenylphenyl)-2-propan-2-yl-1-pyrrolidin-1-ylpentan-1-one
CID 126641412
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methyl-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 8928431
methyl(1-phenylethyl)carbamic acid
CID 67062794
3-methyl-2-[(4-phenylphenyl)methyl]butanoic acid
CID 116930683
2-amino-N-methyl-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 91645134
N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide
CID 2103734
N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 126749944
(2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid
CID 142061345
2-(aminomethyl)-N-methyl-N-(1-phenylethyl)pentanamide
CID 65230078
CID 20537348
CID 20537348
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide?
The IUPAC name of (2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide (CID 126622329) is (2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide.
What is the SMILES notation for (2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide?
The canonical SMILES for (2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide is C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1)C(=O)N(C)[C@H](C)c1ccccc1.
What is the InChIKey of (2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide?
The InChIKey is PWSHREZFDKKBBP-WFXWLMSVSA-N. The full InChI is InChI=1S/C41H44N2O/c1-32(41(44)42(3)33(2)37-20-12-6-13-21-37)28-40(29-34-24-26-39(27-25-34)38-22-14-7-15-23-38)43(30-35-16-8-4-9-17-35)31-36-18-10-5-11-19-36/h4-27,32-33,40H,28-31H2,1-3H3/t32-,33-,40+/m1/s1.
What are the key properties of (2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide?
(2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide has a molecular weight of 580.82 g/mol, XLogP of 9.21, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(dibenzylamino)-N,2-dimethyl-N-[(1R)-1-phenylethyl]-5-(4-phenylphenyl)pentanamide is sourced from PubChem (CID 126622329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).