N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide

C20H21N3O2 — CID 8770129

IUPACN-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(C#N)cc2)C2CC2)cc1
InChIInChI=1S/C20H21N3O2/c1-25-19-10-4-16(5-11-19)13-23(18-8-9-18)14-20(24)22-17-6-2-15(12-21)3-7-17/h2-7,10-11,18H,8-9,13-14H2,1H3,(H,22,24)
InChIKeyVYIRBJDBIQUMFT-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.17
Rot. Bonds7

About N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide

N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide (PubChem CID 8770129) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
PubChem CID8770129
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(C#N)cc2)C2CC2)cc1
InChIInChI=1S/C20H21N3O2/c1-25-19-10-4-16(5-11-19)13-23(18-8-9-18)14-20(24)22-17-6-2-15(12-21)3-7-17/h2-7,10-11,18H,8-9,13-14H2,1H3,(H,22,24)
InChIKeyVYIRBJDBIQUMFT-UHFFFAOYSA-N
XLogP3.17
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105
methyl 4-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 8770093
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 86908948
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
N'-acetyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetohydrazide
CID 8770707
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8770322
2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 55986734
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 8769959
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 8977684
N-(2-bromo-4-methylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770119

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide (CID 8770129) is N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide is COc1ccc(CN(CC(=O)Nc2ccc(C#N)cc2)C2CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
The InChIKey is VYIRBJDBIQUMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-19-10-4-16(5-11-19)13-23(18-8-9-18)14-20(24)22-17-6-2-15(12-21)3-7-17/h2-7,10-11,18H,8-9,13-14H2,1H3,(H,22,24).
What are the key properties of N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 8770129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).