2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide

C24H31ClN2O3 — CID 132711673

IUPAC2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
SMILESCc1cc(C)cc(OCC(=O)N(Cc2ccccc2Cl)C(C)C(=O)NCC(C)C)c1
InChIInChI=1S/C24H31ClN2O3/c1-16(2)13-26-24(29)19(5)27(14-20-8-6-7-9-22(20)25)23(28)15-30-21-11-17(3)10-18(4)12-21/h6-12,16,19H,13-15H2,1-5H3,(H,26,29)
InChIKeyPVRULPJNGVGFMI-UHFFFAOYSA-N
MW430.98 g/mol
LogP4.53
Rot. Bonds9

About 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide

2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide (PubChem CID 132711673) has the molecular formula C24H31ClN2O3 and a molecular weight of 430.98 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
PubChem CID132711673
Molecular FormulaC24H31ClN2O3
Molecular Weight430.98 g/mol
Exact Mass430.20
IUPAC Name2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
SMILESCc1cc(C)cc(OCC(=O)N(Cc2ccccc2Cl)C(C)C(=O)NCC(C)C)c1
InChIInChI=1S/C24H31ClN2O3/c1-16(2)13-26-24(29)19(5)27(14-20-8-6-7-9-22(20)25)23(28)15-30-21-11-17(3)10-18(4)12-21/h6-12,16,19H,13-15H2,1-5H3,(H,26,29)
InChIKeyPVRULPJNGVGFMI-UHFFFAOYSA-N
XLogP4.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide
CID 132705911
(2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 100723367
(2S)-2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100568370
2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132719286
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
CID 132708570
N-butan-2-yl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
CID 132708514
2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132721004
(2R)-N-[(2R)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
CID 100557876
(2R)-2-[(2-chlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100676235
2-[(2-chlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132662001
2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide
CID 132666400
2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132674608

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide (CID 132711673) is 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide is Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2Cl)C(C)C(=O)NCC(C)C)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide?
The InChIKey is PVRULPJNGVGFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O3/c1-16(2)13-26-24(29)19(5)27(14-20-8-6-7-9-22(20)25)23(28)15-30-21-11-17(3)10-18(4)12-21/h6-12,16,19H,13-15H2,1-5H3,(H,26,29).
What are the key properties of 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide?
2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide has a molecular weight of 430.98 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 132711673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).