4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide

C19H30N2O3 — CID 111461080

IUPAC4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide
SMILESCC(C)C(O)CCNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-13(2)16(22)10-11-20-17(23)14-6-8-15(9-7-14)18(24)21-12-19(3,4)5/h6-9,13,16,22H,10-12H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyBHFHSEKIBGBWJS-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.60
Rot. Bonds7

About 4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide

4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide (PubChem CID 111461080) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide
PubChem CID111461080
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide
SMILESCC(C)C(O)CCNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-13(2)16(22)10-11-20-17(23)14-6-8-15(9-7-14)18(24)21-12-19(3,4)5/h6-9,13,16,22H,10-12H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyBHFHSEKIBGBWJS-UHFFFAOYSA-N
XLogP2.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-aminobutyl)-4-N-(2,2-dimethylpropyl)benzene-1,4-dicarboxamide
CID 119498465
N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 111461088
N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide
CID 111461166
N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
CID 169133122
4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461405
3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 111461509
4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120830958
N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327
N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide
CID 71787595
4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide
CID 95984599
4-hydroxy-N-(3-hydroxybutyl)benzamide
CID 64912837
6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460539

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide (CID 111461080) is 4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide is CC(C)C(O)CCNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1.
What is the InChIKey of 4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide?
The InChIKey is BHFHSEKIBGBWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-13(2)16(22)10-11-20-17(23)14-6-8-15(9-7-14)18(24)21-12-19(3,4)5/h6-9,13,16,22H,10-12H2,1-5H3,(H,20,23)(H,21,24).
What are the key properties of 4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide?
4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 111461080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).