(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide

C25H34N2O2 — CID 100561703

IUPAC(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C25H34N2O2/c1-6-14-26-25(29)23(7-2)27(17-21-11-8-18(3)9-12-21)24(28)16-22-13-10-19(4)20(5)15-22/h8-13,15,23H,6-7,14,16-17H2,1-5H3,(H,26,29)/t23-/m1/s1
InChIKeyXMIWRXRRACGNKF-HSZRJFAPSA-N
MW394.56 g/mol
LogP4.49
Rot. Bonds9

About (2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide

(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide (PubChem CID 100561703) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is (2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
PubChem CID100561703
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C25H34N2O2/c1-6-14-26-25(29)23(7-2)27(17-21-11-8-18(3)9-12-21)24(28)16-22-13-10-19(4)20(5)15-22/h8-13,15,23H,6-7,14,16-17H2,1-5H3,(H,26,29)/t23-/m1/s1
InChIKeyXMIWRXRRACGNKF-HSZRJFAPSA-N
XLogP4.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100562451
2-[[2-(3,4-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132659996
(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100547987
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100563627
(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 100541940
2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132657951
(2S)-2-[(4-chlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 100576018
2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132650769
2-[(4-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propylbutanamide
CID 132664753
2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132670402
2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-propan-2-ylbutanamide
CID 132657130
2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 132670432

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide?
The IUPAC name of (2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide (CID 100561703) is (2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide.
What is the SMILES notation for (2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide?
The canonical SMILES for (2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide is CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of (2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide?
The InChIKey is XMIWRXRRACGNKF-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-6-14-26-25(29)23(7-2)27(17-21-11-8-18(3)9-12-21)24(28)16-22-13-10-19(4)20(5)15-22/h8-13,15,23H,6-7,14,16-17H2,1-5H3,(H,26,29)/t23-/m1/s1.
What are the key properties of (2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide?
(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide has a molecular weight of 394.56 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide is sourced from PubChem (CID 100561703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).