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

C16H25N3O3 — CID 42950126

IUPACN-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide
SMILESCOCC(=O)Nc1ccc(NC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H25N3O3/c1-11(15(21)19-16(2,3)4)17-12-6-8-13(9-7-12)18-14(20)10-22-5/h6-9,11,17H,10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyFQNWGIJFNUCGRP-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.99
Rot. Bonds6

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

N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide (PubChem CID 42950126) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide
PubChem CID42950126
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide
SMILESCOCC(=O)Nc1ccc(NC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H25N3O3/c1-11(15(21)19-16(2,3)4)17-12-6-8-13(9-7-12)18-14(20)10-22-5/h6-9,11,17H,10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyFQNWGIJFNUCGRP-UHFFFAOYSA-N
XLogP1.99
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885
2-[4-[(2-methoxyacetyl)amino]anilino]-N-(2-methylpropylcarbamoyl)propanamide
CID 55572485
N-tert-butyl-2-(4-ethylanilino)propanamide
CID 45282110
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide
CID 55572161
2-(tert-butylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 47842254
2-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 114014349
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
CID 42948482
N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
CID 43087018
2-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]acetamide
CID 61279184
(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide
CID 31268880
2-methoxy-N-[4-[1-(1-methylcyclopropyl)ethylamino]phenyl]acetamide
CID 43717432

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide?
The IUPAC name of N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide (CID 42950126) is N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide?
The canonical SMILES for N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide is COCC(=O)Nc1ccc(NC(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide?
The InChIKey is FQNWGIJFNUCGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(15(21)19-16(2,3)4)17-12-6-8-13(9-7-12)18-14(20)10-22-5/h6-9,11,17H,10H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide?
N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide has a molecular weight of 307.39 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide is sourced from PubChem (CID 42950126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).