3,4-dipentoxy-N-propan-2-ylbenzamide

C20H33NO3 — CID 3575779

IUPAC3,4-dipentoxy-N-propan-2-ylbenzamide
SMILESCCCCCOc1ccc(C(=O)NC(C)C)cc1OCCCCC
InChIInChI=1S/C20H33NO3/c1-5-7-9-13-23-18-12-11-17(20(22)21-16(3)4)15-19(18)24-14-10-8-6-2/h11-12,15-16H,5-10,13-14H2,1-4H3,(H,21,22)
InChIKeyQIYWJGUXFPBRTG-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.96
Rot. Bonds12

About 3,4-dipentoxy-N-propan-2-ylbenzamide

3,4-dipentoxy-N-propan-2-ylbenzamide (PubChem CID 3575779) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 3,4-dipentoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,4-dipentoxy-N-propan-2-ylbenzamide
PubChem CID3575779
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name3,4-dipentoxy-N-propan-2-ylbenzamide
SMILESCCCCCOc1ccc(C(=O)NC(C)C)cc1OCCCCC
InChIInChI=1S/C20H33NO3/c1-5-7-9-13-23-18-12-11-17(20(22)21-16(3)4)15-19(18)24-14-10-8-6-2/h11-12,15-16H,5-10,13-14H2,1-4H3,(H,21,22)
InChIKeyQIYWJGUXFPBRTG-UHFFFAOYSA-N
XLogP4.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-butoxy-N-propan-2-ylbenzamide
CID 82069845
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-didodecoxybenzamide
CID 101427382
3,4-di(tridecoxy)benzoic acid
CID 66940296
N-[2-[di(propan-2-yl)amino]ethyl]-3,4-dipentoxybenzamide
CID 44758079
3-[(3,4-dipropoxybenzoyl)amino]butanoic acid
CID 119220905
4-butoxy-N-(1-hydroxypropan-2-yl)-3-methoxybenzamide
CID 78856853
1-(3,4-diheptoxyphenyl)ethanone
CID 23127596
1-[3,4-di(nonoxy)phenyl]ethanone
CID 23127426
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide
CID 55334786
3-(3-methoxypropoxy)-N-propan-2-yl-4-sulfanylbenzamide;2-methylbutane
CID 143814342

Frequently Asked Questions

What is the IUPAC name of 3,4-dipentoxy-N-propan-2-ylbenzamide?
The IUPAC name of 3,4-dipentoxy-N-propan-2-ylbenzamide (CID 3575779) is 3,4-dipentoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,4-dipentoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 3,4-dipentoxy-N-propan-2-ylbenzamide is CCCCCOc1ccc(C(=O)NC(C)C)cc1OCCCCC.
What is the InChIKey of 3,4-dipentoxy-N-propan-2-ylbenzamide?
The InChIKey is QIYWJGUXFPBRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3/c1-5-7-9-13-23-18-12-11-17(20(22)21-16(3)4)15-19(18)24-14-10-8-6-2/h11-12,15-16H,5-10,13-14H2,1-4H3,(H,21,22).
What are the key properties of 3,4-dipentoxy-N-propan-2-ylbenzamide?
3,4-dipentoxy-N-propan-2-ylbenzamide has a molecular weight of 335.49 g/mol, XLogP of 4.96, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dipentoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 3575779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).