2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide

C17H26N4O4 — CID 55572485

IUPAC2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCOCC(=O)Nc1ccc(NC(C)C(=O)NC(=O)NCC(C)C)cc1
InChIInChI=1S/C17H26N4O4/c1-11(2)9-18-17(24)21-16(23)12(3)19-13-5-7-14(8-6-13)20-15(22)10-25-4/h5-8,11-12,19H,9-10H2,1-4H3,(H,20,22)(H2,18,21,23,24)
InChIKeyUYEJISZWHSWWGN-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.55
Rot. Bonds8

About 2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide

2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide (PubChem CID 55572485) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide
PubChem CID55572485
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCOCC(=O)Nc1ccc(NC(C)C(=O)NC(=O)NCC(C)C)cc1
InChIInChI=1S/C17H26N4O4/c1-11(2)9-18-17(24)21-16(23)12(3)19-13-5-7-14(8-6-13)20-15(22)10-25-4/h5-8,11-12,19H,9-10H2,1-4H3,(H,20,22)(H2,18,21,23,24)
InChIKeyUYEJISZWHSWWGN-UHFFFAOYSA-N
XLogP1.55
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide
CID 42950126
N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide
CID 47065348
2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279
N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide
CID 55572161
2-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 114014349
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
CID 42948482
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175
2-methoxy-N-[4-[1-(1-methylcyclopropyl)ethylamino]phenyl]acetamide
CID 43717432
2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide
CID 17456697
N-[4-(dicyclopropylmethylamino)phenyl]-2-methoxyacetamide
CID 43717450
N-(ethylcarbamoyl)-2-[4-[2-(methylamino)-2-oxoethyl]anilino]propanamide
CID 86924151
N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123150

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide?
The IUPAC name of 2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide (CID 55572485) is 2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide is COCC(=O)Nc1ccc(NC(C)C(=O)NC(=O)NCC(C)C)cc1.
What is the InChIKey of 2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide?
The InChIKey is UYEJISZWHSWWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-11(2)9-18-17(24)21-16(23)12(3)19-13-5-7-14(8-6-13)20-15(22)10-25-4/h5-8,11-12,19H,9-10H2,1-4H3,(H,20,22)(H2,18,21,23,24).
What are the key properties of 2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide?
2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 1.55, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide is sourced from PubChem (CID 55572485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).