2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide

C15H22N4O5 — CID 18094741

IUPAC2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide
SMILESCOCCNC(=O)CN(C)C(C)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H22N4O5/c1-11(18(2)10-14(20)16-8-9-24-3)15(21)17-12-4-6-13(7-5-12)19(22)23/h4-7,11H,8-10H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyKUHUMRYKDGZCNX-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.62
Rot. Bonds9

About 2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide

2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide (PubChem CID 18094741) has the molecular formula C15H22N4O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide
PubChem CID18094741
Molecular FormulaC15H22N4O5
Molecular Weight338.36 g/mol
Exact Mass338.16
IUPAC Name2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide
SMILESCOCCNC(=O)CN(C)C(C)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H22N4O5/c1-11(18(2)10-14(20)16-8-9-24-3)15(21)17-12-4-6-13(7-5-12)19(22)23/h4-7,11H,8-10H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyKUHUMRYKDGZCNX-UHFFFAOYSA-N
XLogP0.62
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

(2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302580
(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9356943
(2R)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9356945
N-(2-methoxyethyl)-2-[methyl(3-oxobutan-2-yl)amino]acetamide
CID 60680902
2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide
CID 51171787
2-(2-chloro-N-methyl-4-nitroanilino)-N-(2-methoxyethyl)acetamide
CID 24508374
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide
CID 55351839
N-(2-methoxyethyl)-2-[methyl(3-oxopentan-2-yl)amino]acetamide
CID 64866282
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
(2S)-N-(2-chloro-5-nitrophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 41093919
N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide
CID 60691812
2-amino-3-methoxy-N-[2-(4-nitroanilino)ethyl]propanamide
CID 120983952

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide?
The IUPAC name of 2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide (CID 18094741) is 2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide.
What is the SMILES notation for 2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide?
The canonical SMILES for 2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide is COCCNC(=O)CN(C)C(C)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide?
The InChIKey is KUHUMRYKDGZCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5/c1-11(18(2)10-14(20)16-8-9-24-3)15(21)17-12-4-6-13(7-5-12)19(22)23/h4-7,11H,8-10H2,1-3H3,(H,16,20)(H,17,21).
What are the key properties of 2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide?
2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide has a molecular weight of 338.36 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide is sourced from PubChem (CID 18094741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).