1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide

C18H28N2O2 — CID 897414

IUPAC1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1cccc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C18H28N2O2/c1-13(2)8-10-19-17(21)15-6-5-7-16(12-15)18(22)20-11-9-14(3)4/h5-7,12-14H,8-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyWZXZCTIMWDRUON-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.24
Rot. Bonds8

About 1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide

1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide (PubChem CID 897414) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide
PubChem CID897414
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1cccc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C18H28N2O2/c1-13(2)8-10-19-17(21)15-6-5-7-16(12-15)18(22)20-11-9-14(3)4/h5-7,12-14H,8-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyWZXZCTIMWDRUON-UHFFFAOYSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide (CID 897414) is 1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide is CC(C)CCNC(=O)c1cccc(C(=O)NCCC(C)C)c1.
What is the InChIKey of 1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide?
The InChIKey is WZXZCTIMWDRUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)8-10-19-17(21)15-6-5-7-16(12-15)18(22)20-11-9-14(3)4/h5-7,12-14H,8-11H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide?
1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 897414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).