2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide

C14H18N2O2 — CID 59124308

IUPAC2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide
SMILESCN(CC1CCc2ccccc2C1=O)C(=O)CN
InChIInChI=1S/C14H18N2O2/c1-16(13(17)8-15)9-11-7-6-10-4-2-3-5-12(10)14(11)18/h2-5,11H,6-9,15H2,1H3
InChIKeySMQSRVNVZRDPMD-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.85
Rot. Bonds3

About 2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide

2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide (PubChem CID 59124308) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide
PubChem CID59124308
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide
SMILESCN(CC1CCc2ccccc2C1=O)C(=O)CN
InChIInChI=1S/C14H18N2O2/c1-16(13(17)8-15)9-11-7-6-10-4-2-3-5-12(10)14(11)18/h2-5,11H,6-9,15H2,1H3
InChIKeySMQSRVNVZRDPMD-UHFFFAOYSA-N
XLogP0.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 125478186
2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906
6-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)hexanoic acid
CID 18623264
(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 14921451
tert-butyl N-[3-(4-hydroxyphenyl)propanoyl]-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]carbamate
CID 18462157
2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429212
2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429583
2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide
CID 22998648
2-(6-oxoundecyl)-3,4-dihydro-2H-naphthalen-1-one
CID 70527220
7-[(dimethylamino)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 154119920
(2S)-2-[(2-hydroxyethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 57232456
2-[3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-naphthalen-1-one
CID 103410639

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide?
The IUPAC name of 2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide (CID 59124308) is 2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide?
The canonical SMILES for 2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide is CN(CC1CCc2ccccc2C1=O)C(=O)CN.
What is the InChIKey of 2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide?
The InChIKey is SMQSRVNVZRDPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16(13(17)8-15)9-11-7-6-10-4-2-3-5-12(10)14(11)18/h2-5,11H,6-9,15H2,1H3.
What are the key properties of 2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide?
2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]acetamide is sourced from PubChem (CID 59124308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).