1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide

C17H18N2O3 — CID 21350465

IUPAC1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide
SMILESC=CC(=O)NCCNC(=O)c1ccc2c(C)cccc2c1O
InChIInChI=1S/C17H18N2O3/c1-3-15(20)18-9-10-19-17(22)14-8-7-12-11(2)5-4-6-13(12)16(14)21/h3-8,21H,1,9-10H2,2H3,(H,18,20)(H,19,22)
InChIKeyGBTZPZQOUAGVDJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.89
Rot. Bonds5

About 1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide

1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide (PubChem CID 21350465) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide
PubChem CID21350465
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide
SMILESC=CC(=O)NCCNC(=O)c1ccc2c(C)cccc2c1O
InChIInChI=1S/C17H18N2O3/c1-3-15(20)18-9-10-19-17(22)14-8-7-12-11(2)5-4-6-13(12)16(14)21/h3-8,21H,1,9-10H2,2H3,(H,18,20)(H,19,22)
InChIKeyGBTZPZQOUAGVDJ-UHFFFAOYSA-N
XLogP1.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-methyl-N-[2-(prop-2-enoylamino)ethyl]benzamide
CID 71998630
N-[(2-methylphenyl)methyl]prop-2-enamide
CID 43616523
[3-chloro-4-[2-(prop-2-enoylamino)ethylcarbamoyl]phenyl]boronic acid
CID 169268662
[3-iodo-4-[2-(prop-2-enoylamino)ethylcarbamoyl]phenyl]boronic acid
CID 169268663
1-(5-methylnaphthalen-1-yl)prop-2-en-1-one
CID 89106757
N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]prop-2-enamide
CID 22754679
N-[2-(ethylamino)ethyl]-1-hydroxynaphthalene-2-carboxamide
CID 62656875
2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
CID 114504231
N-[2-(2,6-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 17386421
4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide
CID 21350487
2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54934799
N-[[2-[2-[(3,4-dimethylphenyl)methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 167791724

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide (CID 21350465) is 1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide is C=CC(=O)NCCNC(=O)c1ccc2c(C)cccc2c1O.
What is the InChIKey of 1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide?
The InChIKey is GBTZPZQOUAGVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-15(20)18-9-10-19-17(22)14-8-7-12-11(2)5-4-6-13(12)16(14)21/h3-8,21H,1,9-10H2,2H3,(H,18,20)(H,19,22).
What are the key properties of 1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide?
1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 21350465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).