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

C18H21N3O2 — CID 47033746

IUPACN-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide
SMILESCNC(=O)Cc1ccccc1NC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C18H21N3O2/c1-13-7-9-14(10-8-13)12-20-18(23)21-16-6-4-3-5-15(16)11-17(22)19-2/h3-10H,11-12H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyKDTZQOFAHXNWGG-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.61
Rot. Bonds5

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

N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide (PubChem CID 47033746) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide
PubChem CID47033746
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide
SMILESCNC(=O)Cc1ccccc1NC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C18H21N3O2/c1-13-7-9-14(10-8-13)12-20-18(23)21-16-6-4-3-5-15(16)11-17(22)19-2/h3-10H,11-12H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyKDTZQOFAHXNWGG-UHFFFAOYSA-N
XLogP2.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304
1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea
CID 20694113
1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133695
1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 108899158
2-[2-(benzylcarbamoylamino)phenyl]acetamide
CID 51080430
1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 65464427
N-(2-benzylphenyl)-2-(4-methylphenyl)acetamide
CID 9192456
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
1-(2-ethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3667887
2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 86988845

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide (CID 47033746) is N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide is CNC(=O)Cc1ccccc1NC(=O)NCc1ccc(C)cc1.
What is the InChIKey of N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide?
The InChIKey is KDTZQOFAHXNWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-7-9-14(10-8-13)12-20-18(23)21-16-6-4-3-5-15(16)11-17(22)19-2/h3-10H,11-12H2,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide?
N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 47033746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).