(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide

C11H23N3O2 — CID 103831075

IUPAC(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide
SMILESCCCC[C@H](N)C(=O)NC(C)C(=O)NCC
InChIInChI=1S/C11H23N3O2/c1-4-6-7-9(12)11(16)14-8(3)10(15)13-5-2/h8-9H,4-7,12H2,1-3H3,(H,13,15)(H,14,16)/t8?,9-/m0/s1
InChIKeyLSPCIEMHUNQYQL-GKAPJAKFSA-N
MW229.32 g/mol
LogP0.14
Rot. Bonds7

About (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide

(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide (PubChem CID 103831075) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide
PubChem CID103831075
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide
SMILESCCCC[C@H](N)C(=O)NC(C)C(=O)NCC
InChIInChI=1S/C11H23N3O2/c1-4-6-7-9(12)11(16)14-8(3)10(15)13-5-2/h8-9H,4-7,12H2,1-3H3,(H,13,15)(H,14,16)/t8?,9-/m0/s1
InChIKeyLSPCIEMHUNQYQL-GKAPJAKFSA-N
XLogP0.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]hexanamide
CID 61467506
(2S)-2-(2-aminohexanoylamino)propanoic acid
CID 51063258
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid
CID 107145612
2-amino-N-hexylhexanamide
CID 60852762
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 61154394
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2R)-2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]pentanamide
CID 103795688
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775
(2S)-2-amino-N-[4-(propan-2-ylamino)butyl]hexanamide
CID 167615708
(2S)-2-(2-aminohexanoylamino)-3-methylbutanoic acid
CID 61173844

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide (CID 103831075) is (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide is CCCC[C@H](N)C(=O)NC(C)C(=O)NCC.
What is the InChIKey of (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide?
The InChIKey is LSPCIEMHUNQYQL-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-6-7-9(12)11(16)14-8(3)10(15)13-5-2/h8-9H,4-7,12H2,1-3H3,(H,13,15)(H,14,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide?
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide has a molecular weight of 229.32 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide is sourced from PubChem (CID 103831075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).