(2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide

C24H31ClN2O2 — CID 100568172

IUPAC(2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C24H31ClN2O2/c1-4-16-26-24(29)22(5-2)27(17-20-8-6-7-9-21(20)25)23(28)15-14-19-12-10-18(3)11-13-19/h6-13,22H,4-5,14-17H2,1-3H3,(H,26,29)/t22-/m1/s1
InChIKeyAUGNRKFUNYXKHR-JOCHJYFZSA-N
MW414.98 g/mol
LogP4.91
Rot. Bonds10

About (2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide

(2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide (PubChem CID 100568172) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is (2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide
PubChem CID100568172
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC Name(2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C24H31ClN2O2/c1-4-16-26-24(29)22(5-2)27(17-20-8-6-7-9-21(20)25)23(28)15-14-19-12-10-18(3)11-13-19/h6-13,22H,4-5,14-17H2,1-3H3,(H,26,29)/t22-/m1/s1
InChIKeyAUGNRKFUNYXKHR-JOCHJYFZSA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylbutanamide
CID 100569635
(2S)-2-[(4-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide
CID 100574907
2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132661437
(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide
CID 100542315
(2S)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propylbutanamide
CID 100570597
2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide
CID 132656034
2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132664735
(2R)-2-[(2-chlorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-propylbutanamide
CID 100563936
(2S)-2-[(2-chlorophenyl)methyl-[4-(4-methyl-N-methylsulfonylanilino)butanoyl]amino]-N-propylbutanamide
CID 100569677
2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylbutanamide
CID 132670478
2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132668608
2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide
CID 132708058

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide?
The IUPAC name of (2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide (CID 100568172) is (2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide.
What is the SMILES notation for (2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide?
The canonical SMILES for (2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide is CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1.
What is the InChIKey of (2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide?
The InChIKey is AUGNRKFUNYXKHR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c1-4-16-26-24(29)22(5-2)27(17-20-8-6-7-9-21(20)25)23(28)15-14-19-12-10-18(3)11-13-19/h6-13,22H,4-5,14-17H2,1-3H3,(H,26,29)/t22-/m1/s1.
What are the key properties of (2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide?
(2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide has a molecular weight of 414.98 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide is sourced from PubChem (CID 100568172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).