N-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide

C19H20N4O3 — CID 26114278

IUPACN-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)Nc2ccc(OCC#N)cc2)cc1
InChIInChI=1S/C19H20N4O3/c1-14-2-4-15(5-3-14)12-21-19(25)22-13-18(24)23-16-6-8-17(9-7-16)26-11-10-20/h2-9H,11-13H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyPQRQOIAJJUGYCD-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.34
Rot. Bonds7

About N-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide

N-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide (PubChem CID 26114278) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
PubChem CID26114278
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)Nc2ccc(OCC#N)cc2)cc1
InChIInChI=1S/C19H20N4O3/c1-14-2-4-15(5-3-14)12-21-19(25)22-13-18(24)23-16-6-8-17(9-7-16)26-11-10-20/h2-9H,11-13H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyPQRQOIAJJUGYCD-UHFFFAOYSA-N
XLogP2.34
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277736
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501
2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 61248513
2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923197
2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide
CID 108933812
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
CID 61248145
2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923257
N-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 19164026

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide (CID 26114278) is N-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide is Cc1ccc(CNC(=O)NCC(=O)Nc2ccc(OCC#N)cc2)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The InChIKey is PQRQOIAJJUGYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-14-2-4-15(5-3-14)12-21-19(25)22-13-18(24)23-16-6-8-17(9-7-16)26-11-10-20/h2-9H,11-13H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
N-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 26114278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).