(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide

C17H25N3O2 — CID 8557442

IUPAC(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)NC1CC1
InChIInChI=1S/C17H25N3O2/c1-11-6-5-7-12(2)16(11)19-15(21)10-20(4)13(3)17(22)18-14-8-9-14/h5-7,13-14H,8-10H2,1-4H3,(H,18,22)(H,19,21)/t13-/m0/s1
InChIKeyQRJGDLVRNWCJSH-ZDUSSCGKSA-N
MW303.41 g/mol
LogP1.84
Rot. Bonds6

About (2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide

(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 8557442) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID8557442
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)NC1CC1
InChIInChI=1S/C17H25N3O2/c1-11-6-5-7-12(2)16(11)19-15(21)10-20(4)13(3)17(22)18-14-8-9-14/h5-7,13-14H,8-10H2,1-4H3,(H,18,22)(H,19,21)/t13-/m0/s1
InChIKeyQRJGDLVRNWCJSH-ZDUSSCGKSA-N
XLogP1.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8909425
N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 17457194
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 46561822
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
(2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 8676303
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-cyclopropylpropanamide
CID 18196276
N-cyclopropyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 18196271
2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
CID 86979720
N-(2,6-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 51167321
(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 9338305
(2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
CID 8557644
N-(2,6-dimethylphenyl)-2-[[(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
CID 41022365

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide (CID 8557442) is (2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide is Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is QRJGDLVRNWCJSH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11-6-5-7-12(2)16(11)19-15(21)10-20(4)13(3)17(22)18-14-8-9-14/h5-7,13-14H,8-10H2,1-4H3,(H,18,22)(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide?
(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 303.41 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 8557442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).