4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide

C13H18N2O3 — CID 115703395

IUPAC4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide
SMILESCCC(O)CCNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-2-11(16)7-8-15-13(18)10-5-3-9(4-6-10)12(14)17/h3-6,11,16H,2,7-8H2,1H3,(H2,14,17)(H,15,18)
InChIKeyYGSOXWXUIFNOQE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.68
Rot. Bonds6

About 4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide

4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide (PubChem CID 115703395) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide
PubChem CID115703395
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide
SMILESCCC(O)CCNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-2-11(16)7-8-15-13(18)10-5-3-9(4-6-10)12(14)17/h3-6,11,16H,2,7-8H2,1H3,(H2,14,17)(H,15,18)
InChIKeyYGSOXWXUIFNOQE-UHFFFAOYSA-N
XLogP0.68
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832721
N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide
CID 115703580
N-(3-hydroxypentyl)naphthalene-2-carboxamide
CID 115703584
4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride
CID 119508553
N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 113259378
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637
2,6-difluoro-N-(3-hydroxypentyl)benzamide
CID 115703804
3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide
CID 113259409
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide
CID 154348827
N-(3-hydroxypentyl)-1H-pyrrole-2-carboxamide
CID 115703464
N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide
CID 115703422

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide (CID 115703395) is 4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide is CCC(O)CCNC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide?
The InChIKey is YGSOXWXUIFNOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-11(16)7-8-15-13(18)10-5-3-9(4-6-10)12(14)17/h3-6,11,16H,2,7-8H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide?
4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 115703395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).