(2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide

C15H23N3O3 — CID 35922476

IUPAC(2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1N[C@H](C)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-10(13(19)17-14(20)18-15(2,3)4)16-11-8-6-7-9-12(11)21-5/h6-10,16H,1-5H3,(H2,17,18,19,20)/t10-/m1/s1
InChIKeyHLLHMWOJGAWSLP-SNVBAGLBSA-N
MW293.37 g/mol
LogP2.12
Rot. Bonds4

About (2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide

(2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide (PubChem CID 35922476) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide
PubChem CID35922476
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1N[C@H](C)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-10(13(19)17-14(20)18-15(2,3)4)16-11-8-6-7-9-12(11)21-5/h6-10,16H,1-5H3,(H2,17,18,19,20)/t10-/m1/s1
InChIKeyHLLHMWOJGAWSLP-SNVBAGLBSA-N
XLogP2.12
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(tert-butylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
CID 35969817
N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide
CID 51242343
N-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 46666987
(2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide
CID 37329441
(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide
CID 51248619
(2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide
CID 40794639
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
CID 9274019
N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
CID 18268062
N-(tert-butylcarbamoyl)-2-(3,4-dimethylanilino)propanamide
CID 51242354

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide?
The IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide (CID 35922476) is (2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide.
What is the SMILES notation for (2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide?
The canonical SMILES for (2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide is COc1ccccc1N[C@H](C)C(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide?
The InChIKey is HLLHMWOJGAWSLP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(13(19)17-14(20)18-15(2,3)4)16-11-8-6-7-9-12(11)21-5/h6-10,16H,1-5H3,(H2,17,18,19,20)/t10-/m1/s1.
What are the key properties of (2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide?
(2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide has a molecular weight of 293.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide is sourced from PubChem (CID 35922476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).