2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide

C14H21N3O2 — CID 47107125

IUPAC2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide
SMILESCc1cccc(NCC(=O)NC(=O)NCC(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-10(2)8-16-14(19)17-13(18)9-15-12-6-4-5-11(3)7-12/h4-7,10,15H,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyISEQPQUBQIBTTK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.89
Rot. Bonds5

About 2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide

2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 47107125) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID47107125
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide
SMILESCc1cccc(NCC(=O)NC(=O)NCC(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-10(2)8-16-14(19)17-13(18)9-15-12-6-4-5-11(3)7-12/h4-7,10,15H,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyISEQPQUBQIBTTK-UHFFFAOYSA-N
XLogP1.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 47107205
2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide
CID 18096539
2-(4-fluoroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506069
2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506580
2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 26505810
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide
CID 3381858
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-(3-methylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39364235

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide (CID 47107125) is 2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide is Cc1cccc(NCC(=O)NC(=O)NCC(C)C)c1.
What is the InChIKey of 2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is ISEQPQUBQIBTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)8-16-14(19)17-13(18)9-15-12-6-4-5-11(3)7-12/h4-7,10,15H,8-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide?
2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 47107125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).