N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide

C15H23NO3 — CID 78796548

IUPACN-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C15H23NO3/c1-12(2)8-11-19-14-6-4-13(5-7-14)15(18)16-9-3-10-17/h4-7,12,17H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyIOAOVPMPWKOUSQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.22
Rot. Bonds8

About N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide

N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide (PubChem CID 78796548) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
PubChem CID78796548
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C15H23NO3/c1-12(2)8-11-19-14-6-4-13(5-7-14)15(18)16-9-3-10-17/h4-7,12,17H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyIOAOVPMPWKOUSQ-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.22
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

N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide
CID 139715444
N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide
CID 119507309
2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 6944071
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911086
3-[[4-(16-methylheptadecoxy)benzoyl]amino]propanoic acid
CID 139715406
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride
CID 119996953
ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 4948251
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide (CID 78796548) is N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(C(=O)NCCCO)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide?
The InChIKey is IOAOVPMPWKOUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(2)8-11-19-14-6-4-13(5-7-14)15(18)16-9-3-10-17/h4-7,12,17H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide?
N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide has a molecular weight of 265.35 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 78796548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).