4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide

C17H27NO3 — CID 98156453

IUPAC4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide
SMILESCCCCCCCOc1ccc(C(=O)NC[C@H](C)O)cc1
InChIInChI=1S/C17H27NO3/c1-3-4-5-6-7-12-21-16-10-8-15(9-11-16)17(20)18-13-14(2)19/h8-11,14,19H,3-7,12-13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyJLMONXROXSTZOB-AWEZNQCLSA-N
MW293.41 g/mol
LogP3.15
Rot. Bonds10

About 4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide

4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide (PubChem CID 98156453) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide
PubChem CID98156453
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide
SMILESCCCCCCCOc1ccc(C(=O)NC[C@H](C)O)cc1
InChIInChI=1S/C17H27NO3/c1-3-4-5-6-7-12-21-16-10-8-15(9-11-16)17(20)18-13-14(2)19/h8-11,14,19H,3-7,12-13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyJLMONXROXSTZOB-AWEZNQCLSA-N
XLogP3.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-heptoxy-N-(2-hydroxypropyl)benzamide
CID 3390549
N-(2-aminopropyl)-4-butoxybenzamide
CID 63732303
N-[(2S)-2-ethylhexyl]-4-octoxybenzamide
CID 125462791
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-heptoxy-N-methylbenzamide
CID 3291691
4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 2265354
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-butoxybenzamide
CID 62668016
4-hexoxy-N'-(2-methylpropanoyl)benzohydrazide
CID 24677420
4-pentoxybenzohydrazide
CID 2727702
4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 78800293
N-[(2S)-2-hydroxypropyl]-4-prop-2-enoxybenzamide
CID 83030992
methyl 3-[(4-butoxybenzoyl)amino]-2-chloropropanoate
CID 103492843

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide?
The IUPAC name of 4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide (CID 98156453) is 4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide?
The canonical SMILES for 4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide is CCCCCCCOc1ccc(C(=O)NC[C@H](C)O)cc1.
What is the InChIKey of 4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide?
The InChIKey is JLMONXROXSTZOB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-4-5-6-7-12-21-16-10-8-15(9-11-16)17(20)18-13-14(2)19/h8-11,14,19H,3-7,12-13H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide?
4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide has a molecular weight of 293.41 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 98156453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).