N-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide

C23H29ClN2O3 — CID 132947565

IUPACN-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide
SMILESCCNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C23H29ClN2O3/c1-4-25-23(28)18(3)26(16-19-7-5-8-20(24)15-19)22(27)9-6-14-29-21-12-10-17(2)11-13-21/h5,7-8,10-13,15,18H,4,6,9,14,16H2,1-3H3,(H,25,28)
InChIKeyMIFRIWYZXCCURU-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.36
Rot. Bonds10

About N-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide

N-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide (PubChem CID 132947565) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide
PubChem CID132947565
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC NameN-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide
SMILESCCNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C23H29ClN2O3/c1-4-25-23(28)18(3)26(16-19-7-5-8-20(24)15-19)22(27)9-6-14-29-21-12-10-17(2)11-13-21/h5,7-8,10-13,15,18H,4,6,9,14,16H2,1-3H3,(H,25,28)
InChIKeyMIFRIWYZXCCURU-UHFFFAOYSA-N
XLogP4.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 132660505
N-[1-(butylamino)-1-oxopropan-2-yl]-4-(4-chlorophenoxy)-N-[(3-chlorophenyl)methyl]butanamide
CID 133257908
N-[(3-chlorophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide
CID 132947564
N-[(3-chlorophenyl)methyl]-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-phenoxybutanamide
CID 100616508
2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 132763709
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(4-chlorophenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 100537630
N-[(3-chlorophenyl)methyl]-N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-4-phenoxybutanamide
CID 100551970
2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132655993
4-(4-chlorophenoxy)-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(3-methylphenyl)methyl]butanamide
CID 132618382
2-[(3,4-dichlorophenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-ethylbutanamide
CID 132676675
4-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 132709884
N-butyl-2-[4-(4-chlorophenoxy)butanoyl-[(3-methylphenyl)methyl]amino]butanamide
CID 132719336

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide (CID 132947565) is N-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide is CCNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(C)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide?
The InChIKey is MIFRIWYZXCCURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-4-25-23(28)18(3)26(16-19-7-5-8-20(24)15-19)22(27)9-6-14-29-21-12-10-17(2)11-13-21/h5,7-8,10-13,15,18H,4,6,9,14,16H2,1-3H3,(H,25,28).
What are the key properties of N-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide?
N-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide has a molecular weight of 416.95 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 132947565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).