N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide

C15H21NO3 — CID 79380554

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C15H21NO3/c1-5-10-19-13-8-6-12(7-9-13)14(17)16(4)11-15(2,3)18/h5-9,18H,1,10-11H2,2-4H3
InChIKeySAMAOADCMSIQRX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.09
Rot. Bonds6

About N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide (PubChem CID 79380554) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide
PubChem CID79380554
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C15H21NO3/c1-5-10-19-13-8-6-12(7-9-13)14(17)16(4)11-15(2,3)18/h5-9,18H,1,10-11H2,2-4H3
InChIKeySAMAOADCMSIQRX-UHFFFAOYSA-N
XLogP2.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 79381593
methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate
CID 61031962
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 71934119
4-(3-aminoprop-1-ynyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79385792
N-(2-hydroxy-2-methylpropyl)-6-methoxy-N-methylpyridine-3-carboxamide
CID 79291508
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide
CID 79291124
2,2-dimethyl-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 81367554
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethoxy)-N-methylbenzamide
CID 119654669
4-(4-hydroxybut-1-ynyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79386026

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide (CID 79380554) is N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)N(C)CC(C)(C)O)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide?
The InChIKey is SAMAOADCMSIQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-10-19-13-8-6-12(7-9-13)14(17)16(4)11-15(2,3)18/h5-9,18H,1,10-11H2,2-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide is sourced from PubChem (CID 79380554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).