N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

C18H27N3O3 — CID 39964519

IUPACN-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCCNC(=O)[C@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C
InChIInChI=1S/C18H27N3O3/c1-6-19-16(22)13(5)20-18(24)15(11(2)3)21-17(23)14-9-7-8-12(4)10-14/h7-11,13,15H,6H2,1-5H3,(H,19,22)(H,20,24)(H,21,23)/t13-,15+/m0/s1
InChIKeyGWOMWVDAZVQUMA-DZGCQCFKSA-N
MW333.43 g/mol
LogP1.39
Rot. Bonds7

About N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (PubChem CID 39964519) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
PubChem CID39964519
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCCNC(=O)[C@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C
InChIInChI=1S/C18H27N3O3/c1-6-19-16(22)13(5)20-18(24)15(11(2)3)21-17(23)14-9-7-8-12(4)10-14/h7-11,13,15H,6H2,1-5H3,(H,19,22)(H,20,24)(H,21,23)/t13-,15+/m0/s1
InChIKeyGWOMWVDAZVQUMA-DZGCQCFKSA-N
XLogP1.39
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 78856876
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CID 120828073
N-[1-[(3-amino-2-methylpropyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119997662
3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
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[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885905
3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide
CID 8733376
N-[1-(3-acetamido-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134019283
N-[(2R)-1-(4-ethylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 42021580
N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46476036
3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide
CID 112762442
N-[1-[3-(diethylsulfamoyl)-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 3430865
3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (CID 39964519) is N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is CCNC(=O)[C@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C.
What is the InChIKey of N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The InChIKey is GWOMWVDAZVQUMA-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-6-19-16(22)13(5)20-18(24)15(11(2)3)21-17(23)14-9-7-8-12(4)10-14/h7-11,13,15H,6H2,1-5H3,(H,19,22)(H,20,24)(H,21,23)/t13-,15+/m0/s1.
What are the key properties of N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide has a molecular weight of 333.43 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 39964519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).