6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide

C14H28N4O3 — CID 118327264

IUPAC6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide
SMILESCCNC(=O)CNC(=O)[C@H](CC)NC(=O)CCCCCN
InChIInChI=1S/C14H28N4O3/c1-3-11(14(21)17-10-13(20)16-4-2)18-12(19)8-6-5-7-9-15/h11H,3-10,15H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)/t11-/m0/s1
InChIKeyXDUBVOVXPPINHK-NSHDSACASA-N
MW300.40 g/mol
LogP-0.35
Rot. Bonds11

About 6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide

6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide (PubChem CID 118327264) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide
PubChem CID118327264
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC Name6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide
SMILESCCNC(=O)CNC(=O)[C@H](CC)NC(=O)CCCCCN
InChIInChI=1S/C14H28N4O3/c1-3-11(14(21)17-10-13(20)16-4-2)18-12(19)8-6-5-7-9-15/h11H,3-10,15H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)/t11-/m0/s1
InChIKeyXDUBVOVXPPINHK-NSHDSACASA-N
XLogP-0.35
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide with MolForge

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Related Compounds

N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide
CID 121336815
7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
CID 43579253
2-[[(2S)-2-(6-aminohexanoylamino)-4-methylpentanoyl]amino]acetic acid
CID 89183168
5-amino-N-[2-(ethylamino)-2-oxoethyl]-2-methylpentanamide
CID 104683686
N-[6-amino-1-[6-[[6-amino-2-(dodecanoylamino)hexanoyl]amino]hexylamino]-1-oxohexan-2-yl]dodecanamide
CID 10010617
N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 122633004
6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid
CID 24967835
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
2,5-diamino-N-[2-(ethylamino)-2-oxoethyl]pentanamide
CID 89317284
(2S)-2-(5-aminopentanoylamino)pentanoic acid
CID 103869799
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide?
The IUPAC name of 6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide (CID 118327264) is 6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide.
What is the SMILES notation for 6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide?
The canonical SMILES for 6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide is CCNC(=O)CNC(=O)[C@H](CC)NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide?
The InChIKey is XDUBVOVXPPINHK-NSHDSACASA-N. The full InChI is InChI=1S/C14H28N4O3/c1-3-11(14(21)17-10-13(20)16-4-2)18-12(19)8-6-5-7-9-15/h11H,3-10,15H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)/t11-/m0/s1.
What are the key properties of 6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide?
6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide has a molecular weight of 300.40 g/mol, XLogP of -0.35, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide is sourced from PubChem (CID 118327264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).