3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide

C17H26N2O3 — CID 111461509

IUPAC3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)NCCC(O)C(C)C)c1
InChIInChI=1S/C17H26N2O3/c1-4-9-18-16(21)13-6-5-7-14(11-13)17(22)19-10-8-15(20)12(2)3/h5-7,11-12,15,20H,4,8-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyMLINAFNXKISDDO-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.96
Rot. Bonds8

About 3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide

3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide (PubChem CID 111461509) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide
PubChem CID111461509
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)NCCC(O)C(C)C)c1
InChIInChI=1S/C17H26N2O3/c1-4-9-18-16(21)13-6-5-7-14(11-13)17(22)19-10-8-15(20)12(2)3/h5-7,11-12,15,20H,4,8-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyMLINAFNXKISDDO-UHFFFAOYSA-N
XLogP1.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 111461088
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-methyl-2-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid
CID 119169850
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460763
3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid
CID 119220692
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055819
3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119585729
4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide
CID 111461080
3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
CID 43700232

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide (CID 111461509) is 3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide is CCCNC(=O)c1cccc(C(=O)NCCC(O)C(C)C)c1.
What is the InChIKey of 3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide?
The InChIKey is MLINAFNXKISDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-9-18-16(21)13-6-5-7-14(11-13)17(22)19-10-8-15(20)12(2)3/h5-7,11-12,15,20H,4,8-10H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide?
3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.96, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 111461509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).