2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide

C12H25N3O2 — CID 85264464

IUPAC2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide
SMILESCCNC(=O)C(CC)NC(=O)C(N)CC(C)C
InChIInChI=1S/C12H25N3O2/c1-5-10(12(17)14-6-2)15-11(16)9(13)7-8(3)4/h8-10H,5-7,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyXRTODEPFNGQJTR-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.39
Rot. Bonds7

About 2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide

2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide (PubChem CID 85264464) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide
PubChem CID85264464
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide
SMILESCCNC(=O)C(CC)NC(=O)C(N)CC(C)C
InChIInChI=1S/C12H25N3O2/c1-5-10(12(17)14-6-2)15-11(16)9(13)7-8(3)4/h8-10H,5-7,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyXRTODEPFNGQJTR-UHFFFAOYSA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride
CID 158763215
(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid;(2R)-2-[[(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 139248299
(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoic acid;hydrochloride
CID 122235943
(2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61470844
methyl 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoate
CID 5159380
2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472316
2-(carbamoylamino)-N-ethyl-4-methylpentanamide
CID 60636503
2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid
CID 104903232
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 7282367
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoate;hydrochloride
CID 15598024
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
3-amino-4-(1-carboxypropylamino)-4-oxobutanoic acid
CID 64895943

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide (CID 85264464) is 2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide is CCNC(=O)C(CC)NC(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide?
The InChIKey is XRTODEPFNGQJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-10(12(17)14-6-2)15-11(16)9(13)7-8(3)4/h8-10H,5-7,13H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide?
2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide has a molecular weight of 243.35 g/mol, XLogP of 0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 85264464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).