2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide

C18H21N3O3 — CID 24559532

IUPAC2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)NCc1ccccc1
InChIInChI=1S/C18H21N3O3/c1-13-8-9-16(24-2)15(10-13)21-17(22)12-20-18(23)19-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyATISSQLATGWNBG-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.44
Rot. Bonds6

About 2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide

2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 24559532) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID24559532
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)NCc1ccccc1
InChIInChI=1S/C18H21N3O3/c1-13-8-9-16(24-2)15(10-13)21-17(22)12-20-18(23)19-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyATISSQLATGWNBG-UHFFFAOYSA-N
XLogP2.44
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739
2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 24559562
N-(2-methoxy-5-methylphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996806
1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea
CID 4516972
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 46551082
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24604643
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 28917301
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
1-(5-amino-2-methoxyphenyl)-3-benzylurea
CID 107652897

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide (CID 24559532) is 2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CNC(=O)NCc1ccccc1.
What is the InChIKey of 2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is ATISSQLATGWNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-8-9-16(24-2)15(10-13)21-17(22)12-20-18(23)19-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of 2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide?
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 24559532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).