4-(1-hydroxyundecoxy)benzamide

C18H29NO3 — CID 67763427

IUPAC4-(1-hydroxyundecoxy)benzamide
SMILESCCCCCCCCCCC(O)Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-17(20)22-16-13-11-15(12-14-16)18(19)21/h11-14,17,20H,2-10H2,1H3,(H2,19,21)
InChIKeyRPZWUQKXWZNHMN-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.01
Rot. Bonds12

About 4-(1-hydroxyundecoxy)benzamide

4-(1-hydroxyundecoxy)benzamide (PubChem CID 67763427) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 4-(1-hydroxyundecoxy)benzamide.

Molecular Properties

Compound Name4-(1-hydroxyundecoxy)benzamide
PubChem CID67763427
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name4-(1-hydroxyundecoxy)benzamide
SMILESCCCCCCCCCCC(O)Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-17(20)22-16-13-11-15(12-14-16)18(19)21/h11-14,17,20H,2-10H2,1H3,(H2,19,21)
InChIKeyRPZWUQKXWZNHMN-UHFFFAOYSA-N
XLogP4.01
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-carbamoylphenyl) 2-methyloctanoate
CID 175295976
1-phenoxyhexadecan-1-ol
CID 140512988
1-[4-(4-methylphenyl)phenoxy]decan-1-ol
CID 175704689
4-[4-(1-hydroxyhexoxy)phenyl]phenol
CID 22712995
3-[4-(1-hydroxyoctoxy)phenyl]-1-phenylprop-2-en-1-one
CID 151136229
1-(4-octylphenoxy)pentane-1,5-diol
CID 67675377
benzene-1,4-dicarboxamide;undecanamide
CID 175165478
4-[(5S)-dodecan-5-yl]oxybenzoic acid
CID 129396336
4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
CID 141128251
4-(1-carboxydecoxy)benzoic acid
CID 23304106
3-(1-chlorononoxy)benzamide
CID 142780702
1-[4-[(E)-2-(4-hexylsulfonylphenyl)ethenyl]phenoxy]hexan-1-ol
CID 89293910

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyundecoxy)benzamide?
The IUPAC name of 4-(1-hydroxyundecoxy)benzamide (CID 67763427) is 4-(1-hydroxyundecoxy)benzamide.
What is the SMILES notation for 4-(1-hydroxyundecoxy)benzamide?
The canonical SMILES for 4-(1-hydroxyundecoxy)benzamide is CCCCCCCCCCC(O)Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(1-hydroxyundecoxy)benzamide?
The InChIKey is RPZWUQKXWZNHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-17(20)22-16-13-11-15(12-14-16)18(19)21/h11-14,17,20H,2-10H2,1H3,(H2,19,21).
What are the key properties of 4-(1-hydroxyundecoxy)benzamide?
4-(1-hydroxyundecoxy)benzamide has a molecular weight of 307.43 g/mol, XLogP of 4.01, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyundecoxy)benzamide is sourced from PubChem (CID 67763427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).