2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide

C26H28ClN3O4 — CID 27637883

IUPAC2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCOc1ccc(C(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H28ClN3O4/c1-30(16-24(31)28-23-7-5-4-6-22(23)27)17-25(32)29-26(18-8-12-20(33-2)13-9-18)19-10-14-21(34-3)15-11-19/h4-15,26H,16-17H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyQRWNEOLYHWEHGD-UHFFFAOYSA-N
MW481.98 g/mol
LogP4.13
Rot. Bonds10

About 2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide

2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide (PubChem CID 27637883) has the molecular formula C26H28ClN3O4 and a molecular weight of 481.98 g/mol. Its IUPAC name is 2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
PubChem CID27637883
Molecular FormulaC26H28ClN3O4
Molecular Weight481.98 g/mol
Exact Mass481.18
IUPAC Name2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCOc1ccc(C(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H28ClN3O4/c1-30(16-24(31)28-23-7-5-4-6-22(23)27)17-25(32)29-26(18-8-12-20(33-2)13-9-18)19-10-14-21(34-3)15-11-19/h4-15,26H,16-17H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyQRWNEOLYHWEHGD-UHFFFAOYSA-N
XLogP4.13
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
N-[bis(4-methoxyphenyl)methyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 18197624
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8692831
3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911529
N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide
CID 9037201
N-(2-chlorophenyl)-2-[[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 9037030
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2658282
ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9036414
N-(2-chlorophenyl)-2-[[2-[[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 38172110
N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42913792
N-[bis(4-methoxyphenyl)methyl]-2-(2-methoxy-N-methylanilino)acetamide
CID 55839840
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 7862045

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide (CID 27637883) is 2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide is COc1ccc(C(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The InChIKey is QRWNEOLYHWEHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O4/c1-30(16-24(31)28-23-7-5-4-6-22(23)27)17-25(32)29-26(18-8-12-20(33-2)13-9-18)19-10-14-21(34-3)15-11-19/h4-15,26H,16-17H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of 2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide has a molecular weight of 481.98 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 27637883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).