4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide

C18H27NO3 — CID 56908098

IUPAC4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NCC2CCCOC2)cc1
InChIInChI=1S/C18H27NO3/c1-18(2,21)10-9-14-5-7-16(8-6-14)17(20)19-12-15-4-3-11-22-13-15/h5-8,15,21H,3-4,9-13H2,1-2H3,(H,19,20)
InChIKeyNHXQVYMNIFQQNZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.55
Rot. Bonds6

About 4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide

4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide (PubChem CID 56908098) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide
PubChem CID56908098
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NCC2CCCOC2)cc1
InChIInChI=1S/C18H27NO3/c1-18(2,21)10-9-14-5-7-16(8-6-14)17(20)19-12-15-4-3-11-22-13-15/h5-8,15,21H,3-4,9-13H2,1-2H3,(H,19,20)
InChIKeyNHXQVYMNIFQQNZ-UHFFFAOYSA-N
XLogP2.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoate
CID 127041516
N-(Tetrahydropyran-2-YL)benzamide
CID 3717262
Ethyl 2-[[4-[(2-methylphenyl)methylcarbamoyl]phenyl]methyl]butanoate
CID 127040017
4-methyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168297565
2-[[4-[(2-Methylphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid
CID 127039678
Ethyl 3-[(4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 5207633
N-[(2S)-1,3-Dihydroxyundecan-2-yl]-4-heptylbenzamide
CID 44421740
N-[(2S,3S)-1,3-dihydroxyoctadecan-2-yl]-4-heptylbenzamide
CID 44421797
Ethyl 2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoate
CID 127038538
Ethyl 2-[[4-(benzylcarbamoyl)phenyl]methyl]butanoate
CID 127042485
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 71989568
4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide
CID 2847846

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide (CID 56908098) is 4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide is CC(C)(O)CCc1ccc(C(=O)NCC2CCCOC2)cc1.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is NHXQVYMNIFQQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-18(2,21)10-9-14-5-7-16(8-6-14)17(20)19-12-15-4-3-11-22-13-15/h5-8,15,21H,3-4,9-13H2,1-2H3,(H,19,20).
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide?
4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 305.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutyl)-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 56908098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).