N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide

C17H27NO3 — CID 107202832

IUPACN-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)N(C)CCCCCO)cc1
InChIInChI=1S/C17H27NO3/c1-14(2)13-21-16-9-7-15(8-10-16)17(20)18(3)11-5-4-6-12-19/h7-10,14,19H,4-6,11-13H2,1-3H3
InChIKeyVMQPJUOBFXDRPA-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.96
Rot. Bonds9

About N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide

N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide (PubChem CID 107202832) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide
PubChem CID107202832
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)N(C)CCCCCO)cc1
InChIInChI=1S/C17H27NO3/c1-14(2)13-21-16-9-7-15(8-10-16)17(20)18(3)11-5-4-6-12-19/h7-10,14,19H,4-6,11-13H2,1-3H3
InChIKeyVMQPJUOBFXDRPA-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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-(2-hydroxypropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 55061119
2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid
CID 43239741
N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide
CID 110440864
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 79381593
N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide
CID 107206141
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 63940992
N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide
CID 107201918
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide
CID 107201178
6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide
CID 107199939

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide (CID 107202832) is N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)N(C)CCCCCO)cc1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide?
The InChIKey is VMQPJUOBFXDRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-14(2)13-21-16-9-7-15(8-10-16)17(20)18(3)11-5-4-6-12-19/h7-10,14,19H,4-6,11-13H2,1-3H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide?
N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide has a molecular weight of 293.41 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 107202832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).