(2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide

C14H20N4O4 — CID 8712415

IUPAC(2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC(=O)N(C)C
InChIInChI=1S/C14H20N4O4/c1-10(17(4)9-13(19)16(2)3)14(20)15-11-7-5-6-8-12(11)18(21)22/h5-8,10H,9H2,1-4H3,(H,15,20)/t10-/m1/s1
InChIKeyLZQHNGNYJFDTKM-SNVBAGLBSA-N
MW308.34 g/mol
LogP0.94
Rot. Bonds6

About (2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide

(2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide (PubChem CID 8712415) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide
PubChem CID8712415
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name(2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC(=O)N(C)C
InChIInChI=1S/C14H20N4O4/c1-10(17(4)9-13(19)16(2)3)14(20)15-11-7-5-6-8-12(11)18(21)22/h5-8,10H,9H2,1-4H3,(H,15,20)/t10-/m1/s1
InChIKeyLZQHNGNYJFDTKM-SNVBAGLBSA-N
XLogP0.94
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide
CID 8712413
(2S)-2-[(2-bromophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 8515538
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8514684
(2S)-2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8516996
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 51167376
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 8515183
6-amino-2-methyl-N-(2-nitrophenyl)heptanamide
CID 65290463
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8712385
1,1-dimethyl-3-(2-nitrophenyl)thiourea
CID 60641037
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 86909917
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43215756
(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2-nitrophenyl)propanamide
CID 8896324

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide (CID 8712415) is (2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide is C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC(=O)N(C)C.
What is the InChIKey of (2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide?
The InChIKey is LZQHNGNYJFDTKM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-10(17(4)9-13(19)16(2)3)14(20)15-11-7-5-6-8-12(11)18(21)22/h5-8,10H,9H2,1-4H3,(H,15,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide?
(2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide has a molecular weight of 308.34 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 8712415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).