(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C19H31N3O2 — CID 8912935

IUPAC(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(C)CC(=O)NC(C)C
InChIInChI=1S/C19H31N3O2/c1-12(2)16-10-8-9-14(5)18(16)21-19(24)15(6)22(7)11-17(23)20-13(3)4/h8-10,12-13,15H,11H2,1-7H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyINRFAQQHVGOSEZ-OAHLLOKOSA-N
MW333.48 g/mol
LogP2.90
Rot. Bonds7

About (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 8912935) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID8912935
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(C)CC(=O)NC(C)C
InChIInChI=1S/C19H31N3O2/c1-12(2)16-10-8-9-14(5)18(16)21-19(24)15(6)22(7)11-17(23)20-13(3)4/h8-10,12-13,15H,11H2,1-7H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyINRFAQQHVGOSEZ-OAHLLOKOSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide with MolForge

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Related Compounds

(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8909425
2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913236
methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8912939
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 111462613
2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide
CID 108992863
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 46561822
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 2652799
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 8912935) is (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(C)CC(=O)NC(C)C.
What is the InChIKey of (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is INRFAQQHVGOSEZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-12(2)16-10-8-9-14(5)18(16)21-19(24)15(6)22(7)11-17(23)20-13(3)4/h8-10,12-13,15H,11H2,1-7H3,(H,20,23)(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 333.48 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 8912935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).