4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide

C17H27NO3 — CID 61040169

IUPAC4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
SMILESCCCCOc1ccc(C(=O)N(CCCO)C(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-4-5-13-21-16-9-7-15(8-10-16)17(20)18(14(2)3)11-6-12-19/h7-10,14,19H,4-6,11-13H2,1-3H3
InChIKeyIITSFRZLGXGOHP-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.10
Rot. Bonds9

About 4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide

4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide (PubChem CID 61040169) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
PubChem CID61040169
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
SMILESCCCCOc1ccc(C(=O)N(CCCO)C(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-4-5-13-21-16-9-7-15(8-10-16)17(20)18(14(2)3)11-6-12-19/h7-10,14,19H,4-6,11-13H2,1-3H3
InChIKeyIITSFRZLGXGOHP-UHFFFAOYSA-N
XLogP3.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.10
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

N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
4-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256
N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide
CID 63390980
4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119723192
2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039311
N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 61038554
N-(3-hydroxypropyl)-N-propan-2-yl-6-(propylamino)pyridine-3-carboxamide
CID 62177310
4-[3-[ethyl(propan-2-yl)amino]propoxy]benzoic acid
CID 63068770
N-(1-bromopropan-2-yl)-4-butoxy-N-methylbenzamide
CID 104555948
3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022768
4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119289264
N-(2-aminopropyl)-4-butoxy-N-methylbenzamide
CID 63753762

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide (CID 61040169) is 4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide is CCCCOc1ccc(C(=O)N(CCCO)C(C)C)cc1.
What is the InChIKey of 4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
The InChIKey is IITSFRZLGXGOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-5-13-21-16-9-7-15(8-10-16)17(20)18(14(2)3)11-6-12-19/h7-10,14,19H,4-6,11-13H2,1-3H3.
What are the key properties of 4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide has a molecular weight of 293.41 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 61040169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).