2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide

C19H21N3O3 — CID 9261119

IUPAC2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H21N3O3/c1-21(18-8-4-6-14-5-2-3-7-17(14)18)13-19(23)20-15-9-11-16(12-10-15)22(24)25/h2-3,5,7,9-12,18H,4,6,8,13H2,1H3,(H,20,23)/t18-/m0/s1
InChIKeySRHVMDUTMMHKSU-SFHVURJKSA-N
MW339.40 g/mol
LogP3.54
Rot. Bonds5

About 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide

2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide (PubChem CID 9261119) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide
PubChem CID9261119
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H21N3O3/c1-21(18-8-4-6-14-5-2-3-7-17(14)18)13-19(23)20-15-9-11-16(12-10-15)22(24)25/h2-3,5,7,9-12,18H,4,6,8,13H2,1H3,(H,20,23)/t18-/m0/s1
InChIKeySRHVMDUTMMHKSU-SFHVURJKSA-N
XLogP3.54
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093
N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide
CID 9260477
N-[4-(diethylsulfamoyl)phenyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260706
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 55534143
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(phenylcarbamoyl)acetamide
CID 8680982
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 36676150
N-(2,6-dimethylphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260596
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260681
4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 36677187
N-(2-chlorophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260612
3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide
CID 46683151

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide (CID 9261119) is 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide is CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide?
The InChIKey is SRHVMDUTMMHKSU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21(18-8-4-6-14-5-2-3-7-17(14)18)13-19(23)20-15-9-11-16(12-10-15)22(24)25/h2-3,5,7,9-12,18H,4,6,8,13H2,1H3,(H,20,23)/t18-/m0/s1.
What are the key properties of 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide?
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 9261119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).