2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide

C24H31N3O3 — CID 112808084

IUPAC2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(C(NCC(=O)Nc2ccccc2C(=O)NCC(C)C)C2CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-16(2)14-26-24(29)20-6-4-5-7-21(20)27-22(28)15-25-23(17-8-9-17)18-10-12-19(30-3)13-11-18/h4-7,10-13,16-17,23,25H,8-9,14-15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyDZKNMEBZXVQETH-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.76
Rot. Bonds10

About 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 112808084) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID112808084
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(C(NCC(=O)Nc2ccccc2C(=O)NCC(C)C)C2CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-16(2)14-26-24(29)20-6-4-5-7-21(20)27-22(28)15-25-23(17-8-9-17)18-10-12-19(30-3)13-11-18/h4-7,10-13,16-17,23,25H,8-9,14-15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyDZKNMEBZXVQETH-UHFFFAOYSA-N
XLogP3.76
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 112804522
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 21367669
N-(2-bromo-4-methylphenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
CID 112804460
N-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
CID 112805317
2-[[2-(N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126145348
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride
CID 119684657
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 112804442
N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
CID 112804532
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598474

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide (CID 112808084) is 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide is COc1ccc(C(NCC(=O)Nc2ccccc2C(=O)NCC(C)C)C2CC2)cc1.
What is the InChIKey of 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is DZKNMEBZXVQETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-16(2)14-26-24(29)20-6-4-5-7-21(20)27-22(28)15-25-23(17-8-9-17)18-10-12-19(30-3)13-11-18/h4-7,10-13,16-17,23,25H,8-9,14-15H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 409.53 g/mol, XLogP of 3.76, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 112808084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).