(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C19H29N3O2 — CID 8909425

IUPAC(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)[C@H](C)N(C)CC(=O)NC1CC1
InChIInChI=1S/C19H29N3O2/c1-12(2)16-8-6-7-13(3)18(16)21-19(24)14(4)22(5)11-17(23)20-15-9-10-15/h6-8,12,14-15H,9-11H2,1-5H3,(H,20,23)(H,21,24)/t14-/m0/s1
InChIKeyHCZBJFDPSWQPAQ-AWEZNQCLSA-N
MW331.46 g/mol
LogP2.66
Rot. Bonds7

About (2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 8909425) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID8909425
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)[C@H](C)N(C)CC(=O)NC1CC1
InChIInChI=1S/C19H29N3O2/c1-12(2)16-8-6-7-13(3)18(16)21-19(24)14(4)22(5)11-17(23)20-15-9-10-15/h6-8,12,14-15H,9-11H2,1-5H3,(H,20,23)(H,21,24)/t14-/m0/s1
InChIKeyHCZBJFDPSWQPAQ-AWEZNQCLSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8912935
(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 8557442
2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913236
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053428
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8911415
(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053206
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)propanamide
CID 9053403
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 111462613
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 17457194
N-cyclopropyl-2-[(1-hydrazinyl-1-oxopropan-2-yl)-methylamino]acetamide
CID 63584391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of (2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 8909425) is (2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(C)CC(=O)NC1CC1.
What is the InChIKey of (2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is HCZBJFDPSWQPAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-12(2)16-8-6-7-13(3)18(16)21-19(24)14(4)22(5)11-17(23)20-15-9-10-15/h6-8,12,14-15H,9-11H2,1-5H3,(H,20,23)(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 331.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 8909425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).