N-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide

C21H24N2O2 — CID 51132935

IUPACN-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)C2(C)CCCc3ccccc32)c1
InChIInChI=1S/C21H24N2O2/c1-15(24)23-18-10-5-7-16(13-18)14-22-20(25)21(2)12-6-9-17-8-3-4-11-19(17)21/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPPDPMWVGVPAUET-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.56
Rot. Bonds4

About N-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide

N-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide (PubChem CID 51132935) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
PubChem CID51132935
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)C2(C)CCCc3ccccc32)c1
InChIInChI=1S/C21H24N2O2/c1-15(24)23-18-10-5-7-16(13-18)14-22-20(25)21(2)12-6-9-17-8-3-4-11-19(17)21/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPPDPMWVGVPAUET-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
CID 119706274
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid
CID 119224830
1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 119429829
2-methyl-5-[[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226811
3-acetamido-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 110793524
2-[2-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242345
2-[4-[[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698564
N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 111662301
N-[3-[[[C-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]acetamide
CID 110947378
1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110550
N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
CID 46477958

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide (CID 51132935) is N-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide is CC(=O)Nc1cccc(CNC(=O)C2(C)CCCc3ccccc32)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The InChIKey is PPDPMWVGVPAUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(24)23-18-10-5-7-16(13-18)14-22-20(25)21(2)12-6-9-17-8-3-4-11-19(17)21/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
N-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide is sourced from PubChem (CID 51132935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).