3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide

C23H39NO5 — CID 163428475

IUPAC3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide
SMILESCCCCOC(C)(C)CCOc1cc(OCCC(C)C)cc(C(=O)NCCO)c1
InChIInChI=1S/C23H39NO5/c1-6-7-12-29-23(4,5)9-14-28-21-16-19(22(26)24-10-11-25)15-20(17-21)27-13-8-18(2)3/h15-18,25H,6-14H2,1-5H3,(H,24,26)
InChIKeyAONHWPNRAFPHMW-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.20
Rot. Bonds15

About 3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide

3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide (PubChem CID 163428475) has the molecular formula C23H39NO5 and a molecular weight of 409.57 g/mol. Its IUPAC name is 3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide
PubChem CID163428475
Molecular FormulaC23H39NO5
Molecular Weight409.57 g/mol
Exact Mass409.28
IUPAC Name3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide
SMILESCCCCOC(C)(C)CCOc1cc(OCCC(C)C)cc(C(=O)NCCO)c1
InChIInChI=1S/C23H39NO5/c1-6-7-12-29-23(4,5)9-14-28-21-16-19(22(26)24-10-11-25)15-20(17-21)27-13-8-18(2)3/h15-18,25H,6-14H2,1-5H3,(H,24,26)
InChIKeyAONHWPNRAFPHMW-UHFFFAOYSA-N
XLogP4.20
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
CID 78796548
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
3-ethoxy-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 153269388
3-hexoxy-5-(4-methylpentoxy)benzoic acid
CID 145448614
N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide
CID 119507309
N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide
CID 139715444
2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
CID 156868941
1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
CID 58035795
N-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide
CID 166791423
3-butoxy-5-(4-methylhexoxy)benzoic acid
CID 145448613
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218835

Frequently Asked Questions

What is the IUPAC name of 3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide?
The IUPAC name of 3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide (CID 163428475) is 3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide.
What is the SMILES notation for 3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide?
The canonical SMILES for 3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide is CCCCOC(C)(C)CCOc1cc(OCCC(C)C)cc(C(=O)NCCO)c1.
What is the InChIKey of 3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide?
The InChIKey is AONHWPNRAFPHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO5/c1-6-7-12-29-23(4,5)9-14-28-21-16-19(22(26)24-10-11-25)15-20(17-21)27-13-8-18(2)3/h15-18,25H,6-14H2,1-5H3,(H,24,26).
What are the key properties of 3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide?
3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide has a molecular weight of 409.57 g/mol, XLogP of 4.20, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide is sourced from PubChem (CID 163428475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).