(2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide

C15H23N3O3 — CID 35636251

IUPAC(2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide
SMILESC[C@@H](Nc1cccc(OCC(N)=O)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-10(14(20)18-15(2,3)4)17-11-6-5-7-12(8-11)21-9-13(16)19/h5-8,10,17H,9H2,1-4H3,(H2,16,19)(H,18,20)/t10-/m1/s1
InChIKeyRBUHVTFJUDDFNX-SNVBAGLBSA-N
MW293.37 g/mol
LogP1.27
Rot. Bonds6

About (2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide

(2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide (PubChem CID 35636251) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name(2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide
PubChem CID35636251
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide
SMILESC[C@@H](Nc1cccc(OCC(N)=O)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-10(14(20)18-15(2,3)4)17-11-6-5-7-12(8-11)21-9-13(16)19/h5-8,10,17H,9H2,1-4H3,(H2,16,19)(H,18,20)/t10-/m1/s1
InChIKeyRBUHVTFJUDDFNX-SNVBAGLBSA-N
XLogP1.27
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide
CID 54881785
2-[3-(1-cyclopentylethylamino)phenoxy]acetamide
CID 62632459
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride
CID 119277909
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
2-[3-(dicyclopropylmethylamino)phenoxy]acetamide
CID 43720251
2-[3-[(2-ethylphenyl)methylamino]phenoxy]acetamide
CID 62391235
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178
N-tert-butyl-2-(3-nitroanilino)propanamide
CID 115573854
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide?
The IUPAC name of (2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide (CID 35636251) is (2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide.
What is the SMILES notation for (2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide?
The canonical SMILES for (2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide is C[C@@H](Nc1cccc(OCC(N)=O)c1)C(=O)NC(C)(C)C.
What is the InChIKey of (2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide?
The InChIKey is RBUHVTFJUDDFNX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(14(20)18-15(2,3)4)17-11-6-5-7-12(8-11)21-9-13(16)19/h5-8,10,17H,9H2,1-4H3,(H2,16,19)(H,18,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide?
(2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide has a molecular weight of 293.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-amino-2-oxoethoxy)anilino]-N-tert-butylpropanamide is sourced from PubChem (CID 35636251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).