N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide

C24H31ClN2O5 — CID 132720298

IUPACN-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C24H31ClN2O5/c1-5-6-11-26-24(29)17(2)27(15-18-7-9-19(25)10-8-18)23(28)16-32-22-13-20(30-3)12-21(14-22)31-4/h7-10,12-14,17H,5-6,11,15-16H2,1-4H3,(H,26,29)
InChIKeyPMQQSFFMLDOCSJ-UHFFFAOYSA-N
MW462.97 g/mol
LogP4.07
Rot. Bonds12

About N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide

N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide (PubChem CID 132720298) has the molecular formula C24H31ClN2O5 and a molecular weight of 462.97 g/mol. Its IUPAC name is N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide
PubChem CID132720298
Molecular FormulaC24H31ClN2O5
Molecular Weight462.97 g/mol
Exact Mass462.19
IUPAC NameN-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C24H31ClN2O5/c1-5-6-11-26-24(29)17(2)27(15-18-7-9-19(25)10-8-18)23(28)16-32-22-13-20(30-3)12-21(14-22)31-4/h7-10,12-14,17H,5-6,11,15-16H2,1-4H3,(H,26,29)
InChIKeyPMQQSFFMLDOCSJ-UHFFFAOYSA-N
XLogP4.07
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.97
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide
CID 132711782
2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-propylpropanamide
CID 132665364
N-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132710468
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]propanamide
CID 132708331
N-butyl-2-[[2-(4-iodophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132732321
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]propanamide
CID 132711780
N-butyl-2-[[2-(3-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132708532
N-butyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]butanamide
CID 132724844
N-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]propanamide
CID 132721155
N-butyl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132716534
2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132721003
2-[(4-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-propylpropanamide
CID 132665863

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide?
The IUPAC name of N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide (CID 132720298) is N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide?
The canonical SMILES for N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide is CCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(OC)cc(OC)c1.
What is the InChIKey of N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide?
The InChIKey is PMQQSFFMLDOCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O5/c1-5-6-11-26-24(29)17(2)27(15-18-7-9-19(25)10-8-18)23(28)16-32-22-13-20(30-3)12-21(14-22)31-4/h7-10,12-14,17H,5-6,11,15-16H2,1-4H3,(H,26,29).
What are the key properties of N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide?
N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide has a molecular weight of 462.97 g/mol, XLogP of 4.07, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 132720298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).