(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide

C19H31N3O2 — CID 8914313

IUPAC(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide
SMILESCCC[C@H](NC(=O)[C@@H](C)N(C)CC(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C19H31N3O2/c1-6-10-17(16-11-8-7-9-12-16)21-19(24)15(4)22(5)13-18(23)20-14(2)3/h7-9,11-12,14-15,17H,6,10,13H2,1-5H3,(H,20,23)(H,21,24)/t15-,17+/m1/s1
InChIKeyYOODKRLMFOHPRP-WBVHZDCISA-N
MW333.48 g/mol
LogP2.49
Rot. Bonds9

About (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide

(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide (PubChem CID 8914313) 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-[(1S)-1-phenylbutyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide
PubChem CID8914313
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide
SMILESCCC[C@H](NC(=O)[C@@H](C)N(C)CC(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C19H31N3O2/c1-6-10-17(16-11-8-7-9-12-16)21-19(24)15(4)22(5)13-18(23)20-14(2)3/h7-9,11-12,14-15,17H,6,10,13H2,1-5H3,(H,20,23)(H,21,24)/t15-,17+/m1/s1
InChIKeyYOODKRLMFOHPRP-WBVHZDCISA-N
XLogP2.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide
CID 84832187
2-[ethyl(methyl)amino]-N-(1-phenylbutyl)propanamide
CID 60516767
(2S)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348098
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(1-phenylbutyl)propanamide
CID 60516440
(2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348881
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1S)-1-phenylbutyl]propanamide
CID 8556646
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
(2R)-N-methyl-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 9049639
(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide
CID 9049661
2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8913845
(2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
CID 8912953
1-phenylbutylurea
CID 2852079

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide?
The IUPAC name of (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide (CID 8914313) is (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide.
What is the SMILES notation for (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide?
The canonical SMILES for (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide is CCC[C@H](NC(=O)[C@@H](C)N(C)CC(=O)NC(C)C)c1ccccc1.
What is the InChIKey of (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide?
The InChIKey is YOODKRLMFOHPRP-WBVHZDCISA-N. The full InChI is InChI=1S/C19H31N3O2/c1-6-10-17(16-11-8-7-9-12-16)21-19(24)15(4)22(5)13-18(23)20-14(2)3/h7-9,11-12,14-15,17H,6,10,13H2,1-5H3,(H,20,23)(H,21,24)/t15-,17+/m1/s1.
What are the key properties of (2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide?
(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide has a molecular weight of 333.48 g/mol, XLogP of 2.49, 9 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-[(1S)-1-phenylbutyl]propanamide is sourced from PubChem (CID 8914313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).