5-(heptan-2-ylamino)benzene-1,3-dicarboxamide

C15H23N3O2 — CID 43206266

IUPAC5-(heptan-2-ylamino)benzene-1,3-dicarboxamide
SMILESCCCCCC(C)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C15H23N3O2/c1-3-4-5-6-10(2)18-13-8-11(14(16)19)7-12(9-13)15(17)20/h7-10,18H,3-6H2,1-2H3,(H2,16,19)(H2,17,20)
InChIKeyKDPROTFLHBFMJT-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.27
Rot. Bonds8

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

5-(heptan-2-ylamino)benzene-1,3-dicarboxamide (PubChem CID 43206266) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(heptan-2-ylamino)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(heptan-2-ylamino)benzene-1,3-dicarboxamide
PubChem CID43206266
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-(heptan-2-ylamino)benzene-1,3-dicarboxamide
SMILESCCCCCC(C)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C15H23N3O2/c1-3-4-5-6-10(2)18-13-8-11(14(16)19)7-12(9-13)15(17)20/h7-10,18H,3-6H2,1-2H3,(H2,16,19)(H2,17,20)
InChIKeyKDPROTFLHBFMJT-UHFFFAOYSA-N
XLogP2.27
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(hexan-2-ylamino)benzamide
CID 43760421
5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide
CID 103387595
5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide
CID 43206249
2-chloro-5-(heptan-2-ylamino)benzamide
CID 43713383
3,5-bis(2-hexyldecanoylamino)benzamide
CID 19030364
3-(octan-2-ylamino)-N-propylbenzamide
CID 43676007
4-(pentan-2-ylamino)benzamide
CID 43193030
3,5-dichloro-N-nonan-2-ylaniline
CID 55199203
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
3-(heptan-2-ylamino)phenol
CID 43207062
N-ethyl-4-(heptan-2-ylamino)benzamide
CID 43728460
2,4-difluoro-5-(heptan-2-ylamino)benzamide
CID 43673685

Frequently Asked Questions

What is the IUPAC name of 5-(heptan-2-ylamino)benzene-1,3-dicarboxamide?
The IUPAC name of 5-(heptan-2-ylamino)benzene-1,3-dicarboxamide (CID 43206266) is 5-(heptan-2-ylamino)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(heptan-2-ylamino)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-(heptan-2-ylamino)benzene-1,3-dicarboxamide is CCCCCC(C)Nc1cc(C(N)=O)cc(C(N)=O)c1.
What is the InChIKey of 5-(heptan-2-ylamino)benzene-1,3-dicarboxamide?
The InChIKey is KDPROTFLHBFMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-4-5-6-10(2)18-13-8-11(14(16)19)7-12(9-13)15(17)20/h7-10,18H,3-6H2,1-2H3,(H2,16,19)(H2,17,20).
What are the key properties of 5-(heptan-2-ylamino)benzene-1,3-dicarboxamide?
5-(heptan-2-ylamino)benzene-1,3-dicarboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(heptan-2-ylamino)benzene-1,3-dicarboxamide is sourced from PubChem (CID 43206266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).