2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide

C14H21N3O2 — CID 70906208

IUPAC2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide
SMILESCc1cc(C(N)=O)c(NCC(C)(C)C)cc1C(N)=O
InChIInChI=1S/C14H21N3O2/c1-8-5-10(13(16)19)11(6-9(8)12(15)18)17-7-14(2,3)4/h5-6,17H,7H2,1-4H3,(H2,15,18)(H2,16,19)
InChIKeyUEEGKYPJWUTWLS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.65
Rot. Bonds4

About 2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide

2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide (PubChem CID 70906208) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide
PubChem CID70906208
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide
SMILESCc1cc(C(N)=O)c(NCC(C)(C)C)cc1C(N)=O
InChIInChI=1S/C14H21N3O2/c1-8-5-10(13(16)19)11(6-9(8)12(15)18)17-7-14(2,3)4/h5-6,17H,7H2,1-4H3,(H2,15,18)(H2,16,19)
InChIKeyUEEGKYPJWUTWLS-UHFFFAOYSA-N
XLogP1.65
TPSA98.21 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 ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
4-carbamoyl-2,5-dimethylbenzoic acid
CID 165441285
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
2-(2,2-dimethylpropylamino)-5-methylbenzenecarbothioamide
CID 107928610
4-carbamoyl-2-methyl-5-(2-methylhexylamino)benzoic acid
CID 68862719
4-fluoro-2,5-dimethylbenzamide
CID 119025196
3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide
CID 61325560
2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide
CID 115303646
4-chloro-2-(2,2-dimethylpropylamino)benzenecarbothioamide
CID 63082011
5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide
CID 62964464
2-(ethylamino)-4,5-difluorobenzamide
CID 174841980

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide (CID 70906208) is 2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide is Cc1cc(C(N)=O)c(NCC(C)(C)C)cc1C(N)=O.
What is the InChIKey of 2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide?
The InChIKey is UEEGKYPJWUTWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8-5-10(13(16)19)11(6-9(8)12(15)18)17-7-14(2,3)4/h5-6,17H,7H2,1-4H3,(H2,15,18)(H2,16,19).
What are the key properties of 2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide?
2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 70906208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).