N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide

C16H25NO4 — CID 90523388

IUPACN-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(O)C(C)(C)C)c1
InChIInChI=1S/C16H25NO4/c1-16(2,3)14(18)6-7-17-15(19)11-8-12(20-4)10-13(9-11)21-5/h8-10,14,18H,6-7H2,1-5H3,(H,17,19)
InChIKeyTTYHHHCHJUEGQR-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.23
Rot. Bonds6

About N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide

N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide (PubChem CID 90523388) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide
PubChem CID90523388
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(O)C(C)(C)C)c1
InChIInChI=1S/C16H25NO4/c1-16(2,3)14(18)6-7-17-15(19)11-8-12(20-4)10-13(9-11)21-5/h8-10,14,18H,6-7H2,1-5H3,(H,17,19)
InChIKeyTTYHHHCHJUEGQR-UHFFFAOYSA-N
XLogP2.23
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107832382
4-[(3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80539032
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide
CID 106243059
N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
N-(4-chloropentyl)-3,5-dimethoxybenzamide
CID 106130065
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide
CID 95740949
N-(3-cyanopropyl)-3,5-dimethoxybenzamide
CID 62668308
3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523428
N-ethyl-3,5-dimethoxybenzamide
CID 4286127

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide (CID 90523388) is N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCC(O)C(C)(C)C)c1.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide?
The InChIKey is TTYHHHCHJUEGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(2,3)14(18)6-7-17-15(19)11-8-12(20-4)10-13(9-11)21-5/h8-10,14,18H,6-7H2,1-5H3,(H,17,19).
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide?
N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide has a molecular weight of 295.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 90523388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).