(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide

C23H29ClN2O2 — CID 100549818

IUPAC(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C23H29ClN2O2/c1-4-14-25-23(28)21(5-2)26(16-19-12-7-6-10-17(19)3)22(27)15-18-11-8-9-13-20(18)24/h6-13,21H,4-5,14-16H2,1-3H3,(H,25,28)/t21-/m1/s1
InChIKeyGCWYATQPORQAQX-OAQYLSRUSA-N
MW400.95 g/mol
LogP4.52
Rot. Bonds9

About (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide

(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide (PubChem CID 100549818) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
PubChem CID100549818
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC Name(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C23H29ClN2O2/c1-4-14-25-23(28)21(5-2)26(16-19-12-7-6-10-17(19)3)22(27)15-18-11-8-9-13-20(18)24/h6-13,21H,4-5,14-16H2,1-3H3,(H,25,28)/t21-/m1/s1
InChIKeyGCWYATQPORQAQX-OAQYLSRUSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132658446
2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132661408
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100603825
2-[[2-(4-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132661423
(2S)-2-[[2-(2-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 100576993
(2S)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propylbutanamide
CID 100570597
(2S)-2-[(2-chlorophenyl)methyl-[2-(2,6-dichlorophenyl)acetyl]amino]-N-propylbutanamide
CID 100570768
2-[(3,4-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 132670463
(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100547987
2-[[2-(2,6-dichlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132666501
(2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100548461
2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132657947

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide?
The IUPAC name of (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide (CID 100549818) is (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide.
What is the SMILES notation for (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide?
The canonical SMILES for (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide is CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl.
What is the InChIKey of (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide?
The InChIKey is GCWYATQPORQAQX-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-4-14-25-23(28)21(5-2)26(16-19-12-7-6-10-17(19)3)22(27)15-18-11-8-9-13-20(18)24/h6-13,21H,4-5,14-16H2,1-3H3,(H,25,28)/t21-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide?
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide has a molecular weight of 400.95 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide is sourced from PubChem (CID 100549818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).