N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide

C22H22N4O4 — CID 41454643

IUPACN-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide
SMILESCN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc2ccccc12
InChIInChI=1S/C22H22N4O4/c1-25(2)20(17-11-7-9-15-8-3-4-10-16(15)17)14-23-21(27)22(28)24-18-12-5-6-13-19(18)26(29)30/h3-13,20H,14H2,1-2H3,(H,23,27)(H,24,28)/t20-/m0/s1
InChIKeyWXWKYVUNHXRORZ-FQEVSTJZSA-N
MW406.44 g/mol
LogP3.11
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide

N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide (PubChem CID 41454643) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide
PubChem CID41454643
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide
SMILESCN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc2ccccc12
InChIInChI=1S/C22H22N4O4/c1-25(2)20(17-11-7-9-15-8-3-4-10-16(15)17)14-23-21(27)22(28)24-18-12-5-6-13-19(18)26(29)30/h3-13,20H,14H2,1-2H3,(H,23,27)(H,24,28)/t20-/m0/s1
InChIKeyWXWKYVUNHXRORZ-FQEVSTJZSA-N
XLogP3.11
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide
CID 41454568
N'-(2,5-difluorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
CID 41454579
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide
CID 90491001
N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
CID 41454488
N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
CID 41454514
N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 41454681
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
CID 90598230
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]naphthalene-1-carboxamide
CID 8701456
N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide
CID 7585343
1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-nitrophenyl)ethane-1,2-diamine
CID 42909444
N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-nitrobenzenesulfonamide
CID 16831470
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 78799511

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide (CID 41454643) is N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide is CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc2ccccc12.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide?
The InChIKey is WXWKYVUNHXRORZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-25(2)20(17-11-7-9-15-8-3-4-10-16(15)17)14-23-21(27)22(28)24-18-12-5-6-13-19(18)26(29)30/h3-13,20H,14H2,1-2H3,(H,23,27)(H,24,28)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide?
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide has a molecular weight of 406.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide is sourced from PubChem (CID 41454643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).