3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide

C14H21N3O2 — CID 78987092

IUPAC3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide
SMILESCc1c(NC(=O)CNC(C)(C)C)cccc1C(N)=O
InChIInChI=1S/C14H21N3O2/c1-9-10(13(15)19)6-5-7-11(9)17-12(18)8-16-14(2,3)4/h5-7,16H,8H2,1-4H3,(H2,15,19)(H,17,18)
InChIKeyJRQQMMABLZQUMP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.42
Rot. Bonds4

About 3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide

3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide (PubChem CID 78987092) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide
PubChem CID78987092
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide
SMILESCc1c(NC(=O)CNC(C)(C)C)cccc1C(N)=O
InChIInChI=1S/C14H21N3O2/c1-9-10(13(15)19)6-5-7-11(9)17-12(18)8-16-14(2,3)4/h5-7,16H,8H2,1-4H3,(H2,15,19)(H,17,18)
InChIKeyJRQQMMABLZQUMP-UHFFFAOYSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 43698457
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-methylbenzamide
CID 55246391
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide
CID 54925416
3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide
CID 78866555
3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide
CID 60537419
3-[(4-amino-3-methylbutanoyl)amino]-2-methylbenzamide
CID 81075423
3-(3,3-dimethylbutylamino)-2-methylbenzamide
CID 62952099
3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide
CID 34568225
N-tert-butyl-3-(carbamothioylamino)-2-methylbenzamide
CID 169356943
3-(3,3-dimethylbutanoylamino)-2-methylbenzoic acid
CID 55025823
3-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide
CID 53279074
2-(tert-butylamino)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 78923641

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide?
The IUPAC name of 3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide (CID 78987092) is 3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide.
What is the SMILES notation for 3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide?
The canonical SMILES for 3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide is Cc1c(NC(=O)CNC(C)(C)C)cccc1C(N)=O.
What is the InChIKey of 3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide?
The InChIKey is JRQQMMABLZQUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-10(13(15)19)6-5-7-11(9)17-12(18)8-16-14(2,3)4/h5-7,16H,8H2,1-4H3,(H2,15,19)(H,17,18).
What are the key properties of 3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide?
3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide is sourced from PubChem (CID 78987092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).