(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide

C18H21N3O4 — CID 8514684

IUPAC(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCOc1ccccc1
InChIInChI=1S/C18H21N3O4/c1-14(20(2)12-13-25-15-8-4-3-5-9-15)18(22)19-16-10-6-7-11-17(16)21(23)24/h3-11,14H,12-13H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyUTUCBWUVSXMDOI-AWEZNQCLSA-N
MW343.38 g/mol
LogP2.93
Rot. Bonds8

About (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide

(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide (PubChem CID 8514684) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide
PubChem CID8514684
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCOc1ccccc1
InChIInChI=1S/C18H21N3O4/c1-14(20(2)12-13-25-15-8-4-3-5-9-15)18(22)19-16-10-6-7-11-17(16)21(23)24/h3-11,14H,12-13H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyUTUCBWUVSXMDOI-AWEZNQCLSA-N
XLogP2.93
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.93
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-[methyl(2-phenoxyethyl)amino]-N-(2-phenylphenyl)propanamide
CID 8514606
(2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide
CID 8712415
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide
CID 8712413
(2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8797312
(2S)-2-[(2-bromophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 8515538
N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 51242961
(2S)-2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8516996
1-(2-nitrophenyl)-3-(3-phenoxypropyl)urea
CID 108883021
N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 27203177
N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 17437572
[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 7840639
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 8514636

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide?
The IUPAC name of (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide (CID 8514684) is (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide?
The canonical SMILES for (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide is C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCOc1ccccc1.
What is the InChIKey of (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide?
The InChIKey is UTUCBWUVSXMDOI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-14(20(2)12-13-25-15-8-4-3-5-9-15)18(22)19-16-10-6-7-11-17(16)21(23)24/h3-11,14H,12-13H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide?
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide has a molecular weight of 343.38 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 8514684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).