5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide

C14H21N3O2 — CID 43206249

IUPAC5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide
SMILESCC(C)CC(C)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-8(2)4-9(3)17-12-6-10(13(15)18)5-11(7-12)14(16)19/h5-9,17H,4H2,1-3H3,(H2,15,18)(H2,16,19)
InChIKeyCSTXCLYTXPYFJQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.73
Rot. Bonds6

About 5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide

5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide (PubChem CID 43206249) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide
PubChem CID43206249
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide
SMILESCC(C)CC(C)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-8(2)4-9(3)17-12-6-10(13(15)18)5-11(7-12)14(16)19/h5-9,17H,4H2,1-3H3,(H2,15,18)(H2,16,19)
InChIKeyCSTXCLYTXPYFJQ-UHFFFAOYSA-N
XLogP1.73
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3'-Acetamidoacetophenone
CID 346202
3-Amino-N-methylbenzamide
CID 676526
(2S)-N-{2-[(4-fluorophenyl)amino]ethyl}-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648348
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CID 91895873
(1S,6R)-3-[(3-carbamoylphenyl)carbamoyl]-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-aminium; 2,2,2-trifluoroacetate
CID 91895875
3-N-[(1R,3S,4S)-3-amino-1-[(4-fluorophenyl)carbamoyl]-1,6-dimethylheptan-4-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide
CID 11512035
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CID 889534
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CID 974075

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide?
The IUPAC name of 5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide (CID 43206249) is 5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide is CC(C)CC(C)Nc1cc(C(N)=O)cc(C(N)=O)c1.
What is the InChIKey of 5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide?
The InChIKey is CSTXCLYTXPYFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8(2)4-9(3)17-12-6-10(13(15)18)5-11(7-12)14(16)19/h5-9,17H,4H2,1-3H3,(H2,15,18)(H2,16,19).
What are the key properties of 5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide?
5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide is sourced from PubChem (CID 43206249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).