4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide

C11H14N2O3 — CID 83059637

IUPAC4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
SMILESC[C@H](O)CNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C11H14N2O3/c1-7(14)6-13-11(16)9-4-2-8(3-5-9)10(12)15/h2-5,7,14H,6H2,1H3,(H2,12,15)(H,13,16)/t7-/m0/s1
InChIKeyKKLVUHYUBJUKFX-ZETCQYMHSA-N
MW222.24 g/mol
LogP-0.10
Rot. Bonds4

About 4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide

4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide (PubChem CID 83059637) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
PubChem CID83059637
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
SMILESC[C@H](O)CNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C11H14N2O3/c1-7(14)6-13-11(16)9-4-2-8(3-5-9)10(12)15/h2-5,7,14H,6H2,1H3,(H2,12,15)(H,13,16)/t7-/m0/s1
InChIKeyKKLVUHYUBJUKFX-ZETCQYMHSA-N
XLogP-0.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031405
4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide
CID 172799117
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide
CID 15608280
4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 103955565
4-N-(2,2-diphenylethyl)benzene-1,4-dicarboxamide
CID 30870123
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211110
3-amino-4-bromo-N-(2-hydroxypropyl)benzamide
CID 61094213
4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide
CID 115703395

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide (CID 83059637) is 4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide is C[C@H](O)CNC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide?
The InChIKey is KKLVUHYUBJUKFX-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(14)6-13-11(16)9-4-2-8(3-5-9)10(12)15/h2-5,7,14H,6H2,1H3,(H2,12,15)(H,13,16)/t7-/m0/s1.
What are the key properties of 4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide?
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide has a molecular weight of 222.24 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 83059637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).