N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide

C18H21N3O3 — CID 27230247

IUPACN-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide
SMILESCN(C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-20(2)17(14-8-4-3-5-9-14)13-19-18(22)12-15-10-6-7-11-16(15)21(23)24/h3-11,17H,12-13H2,1-2H3,(H,19,22)/t17-/m0/s1
InChIKeyOJNSMUKOUHGJPS-KRWDZBQOSA-N
MW327.38 g/mol
LogP2.56
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide (PubChem CID 27230247) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide
PubChem CID27230247
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide
SMILESCN(C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-20(2)17(14-8-4-3-5-9-14)13-19-18(22)12-15-10-6-7-11-16(15)21(23)24/h3-11,17H,12-13H2,1-2H3,(H,19,22)/t17-/m0/s1
InChIKeyOJNSMUKOUHGJPS-KRWDZBQOSA-N
XLogP2.56
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.56
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-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-naphthalen-1-ylacetamide
CID 41318235
N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 112800026
N-[2-(dimethylamino)-2-phenylethyl]-2,3,4-trifluoro-5-nitrobenzamide
CID 110312851
2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide
CID 107261265
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide
CID 51186743
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 41453308
N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 3387628
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide
CID 27229559
methyl (3S)-3-[[2-(2-nitrophenyl)acetyl]amino]-3-phenylpropanoate
CID 40856389
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 46446745

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide (CID 27230247) is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide is CN(C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is OJNSMUKOUHGJPS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-20(2)17(14-8-4-3-5-9-14)13-19-18(22)12-15-10-6-7-11-16(15)21(23)24/h3-11,17H,12-13H2,1-2H3,(H,19,22)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide?
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 27230247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).