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

C22H27ClN2O3 — CID 133213573

IUPACN-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1ccc(CN(C(=O)C(C)C)C(C)C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C22H27ClN2O3/c1-15(2)22(27)25(14-17-9-11-19(28-4)12-10-17)16(3)21(26)24-13-18-7-5-6-8-20(18)23/h5-12,15-16H,13-14H2,1-4H3,(H,24,26)
InChIKeyDMSXVASSSXNUDE-UHFFFAOYSA-N
MW402.92 g/mol
LogP4.04
Rot. Bonds8

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

N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide (PubChem CID 133213573) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
PubChem CID133213573
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC NameN-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1ccc(CN(C(=O)C(C)C)C(C)C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C22H27ClN2O3/c1-15(2)22(27)25(14-17-9-11-19(28-4)12-10-17)16(3)21(26)24-13-18-7-5-6-8-20(18)23/h5-12,15-16H,13-14H2,1-4H3,(H,24,26)
InChIKeyDMSXVASSSXNUDE-UHFFFAOYSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 133213224
N-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 133213514
N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 133213399
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 133213563
N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
CID 133213570
(2R)-2-[(2-chlorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8541611
N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 133236582
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100720693
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132720314
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 133213172
2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132610630
(2R)-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100720801

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide (CID 133213573) is N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide is COc1ccc(CN(C(=O)C(C)C)C(C)C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide?
The InChIKey is DMSXVASSSXNUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-15(2)22(27)25(14-17-9-11-19(28-4)12-10-17)16(3)21(26)24-13-18-7-5-6-8-20(18)23/h5-12,15-16H,13-14H2,1-4H3,(H,24,26).
What are the key properties of N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide?
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide has a molecular weight of 402.92 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 133213573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).