N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide

C22H27ClN2O3 — CID 133149410

IUPACN-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C22H27ClN2O3/c1-4-5-21(26)25(15-18-6-10-19(23)11-7-18)16(2)22(27)24-14-17-8-12-20(28-3)13-9-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,27)
InChIKeyDTKJZPVABBJFJB-UHFFFAOYSA-N
MW402.92 g/mol
LogP4.18
Rot. Bonds9

About N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide

N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide (PubChem CID 133149410) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide
PubChem CID133149410
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C22H27ClN2O3/c1-4-5-21(26)25(15-18-6-10-19(23)11-7-18)16(2)22(27)24-14-17-8-12-20(28-3)13-9-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,27)
InChIKeyDTKJZPVABBJFJB-UHFFFAOYSA-N
XLogP4.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide
CID 133213552
N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 100529470
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213654
(2R)-2-[3-(4-chlorophenyl)sulfanylpropanoyl-[(4-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100523438
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
CID 133213649
2-[(4-chlorophenyl)methyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide
CID 132674687
N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide
CID 133149417
N-butyl-2-[[2-(4-chlorophenyl)sulfanylacetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132716534
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
CID 133213651
2-[(4-methoxyphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132667509
N-[(4-chlorophenyl)methyl]-4-(4-methoxyphenoxy)-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 132665871
N-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 133213514

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide (CID 133149410) is N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide is CCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide?
The InChIKey is DTKJZPVABBJFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-4-5-21(26)25(15-18-6-10-19(23)11-7-18)16(2)22(27)24-14-17-8-12-20(28-3)13-9-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide?
N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide has a molecular weight of 402.92 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 133149410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).