2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

C24H31ClN2O3 — CID 132669194

IUPAC2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCc1cc(C)c(C)c(OCC(=O)N(Cc2ccc(Cl)cc2)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C24H31ClN2O3/c1-15(2)26-24(29)19(6)27(13-20-7-9-21(25)10-8-20)23(28)14-30-22-12-16(3)11-17(4)18(22)5/h7-12,15,19H,13-14H2,1-6H3,(H,26,29)
InChIKeyIAKHTFKFCZRMEO-UHFFFAOYSA-N
MW430.98 g/mol
LogP4.59
Rot. Bonds8

About 2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132669194) has the molecular formula C24H31ClN2O3 and a molecular weight of 430.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
PubChem CID132669194
Molecular FormulaC24H31ClN2O3
Molecular Weight430.98 g/mol
Exact Mass430.20
IUPAC Name2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCc1cc(C)c(C)c(OCC(=O)N(Cc2ccc(Cl)cc2)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C24H31ClN2O3/c1-15(2)26-24(29)19(6)27(13-20-7-9-21(25)10-8-20)23(28)14-30-22-12-16(3)11-17(4)18(22)5/h7-12,15,19H,13-14H2,1-6H3,(H,26,29)
InChIKeyIAKHTFKFCZRMEO-UHFFFAOYSA-N
XLogP4.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132663822
(2R)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]propanamide
CID 100564519
(2R)-N-[(2S)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 100619982
2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 132714139
N-butan-2-yl-2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 133233747
(2S)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]propanamide
CID 100566623
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657520
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]propanamide
CID 132711780
2-[[2-(2,4-dimethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132661240
2-[[2-(3-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132667171
(2R)-2-[(4-bromophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100569833
(2R)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]propanamide
CID 100563532

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (CID 132669194) is 2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccc(Cl)cc2)C(C)C(=O)NC(C)C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is IAKHTFKFCZRMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O3/c1-15(2)26-24(29)19(6)27(13-20-7-9-21(25)10-8-20)23(28)14-30-22-12-16(3)11-17(4)18(22)5/h7-12,15,19H,13-14H2,1-6H3,(H,26,29).
What are the key properties of 2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 430.98 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132669194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).