2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide

C16H32N4O4 — CID 91198977

IUPAC2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide
SMILESCCC(=O)NCCC(C)=O.CCC(=O)NCCCCC(N)C(N)=O
InChIInChI=1S/C9H19N3O2.C7H13NO2/c1-2-8(13)12-6-4-3-5-7(10)9(11)14;1-3-7(10)8-5-4-6(2)9/h7H,2-6,10H2,1H3,(H2,11,14)(H,12,13);3-5H2,1-2H3,(H,8,10)
InChIKeyUDOCGEWRJBZOJS-UHFFFAOYSA-N
MW344.46 g/mol
LogP-0.01
Rot. Bonds11

About 2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide

2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide (PubChem CID 91198977) has the molecular formula C16H32N4O4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide.

Molecular Properties

Compound Name2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide
PubChem CID91198977
Molecular FormulaC16H32N4O4
Molecular Weight344.46 g/mol
Exact Mass344.24
IUPAC Name2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide
SMILESCCC(=O)NCCC(C)=O.CCC(=O)NCCCCC(N)C(N)=O
InChIInChI=1S/C9H19N3O2.C7H13NO2/c1-2-8(13)12-6-4-3-5-7(10)9(11)14;1-3-7(10)8-5-4-6(2)9/h7H,2-6,10H2,1H3,(H2,11,14)(H,12,13);3-5H2,1-2H3,(H,8,10)
InChIKeyUDOCGEWRJBZOJS-UHFFFAOYSA-N
XLogP-0.01
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(12-oxotridecyl)propanamide
CID 171540592
N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide
CID 170089451
11-(propanoylamino)undecanamide
CID 89244012
6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide
CID 59492094
N-(5-methyl-6-oxoheptyl)propanamide
CID 76588295
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide
CID 160622179
N-(6-hydroxyheptyl)propanamide
CID 91284740
tert-butyl N-(7,8-diamino-8-oxooctyl)carbamate
CID 87097822
N-(5-amino-6-oxooctyl)-4-(2-methylpropanoylamino)butanamide
CID 177135756
ethane;methane;N-[5-(propanoylamino)hexyl]propanamide
CID 159658097
(2S)-6-[[(4S)-4-acetamido-4-carboxybutanoyl]amino]-2-aminohexanoic acid
CID 167256422

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide?
The IUPAC name of 2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide (CID 91198977) is 2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide.
What is the SMILES notation for 2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide?
The canonical SMILES for 2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide is CCC(=O)NCCC(C)=O.CCC(=O)NCCCCC(N)C(N)=O.
What is the InChIKey of 2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide?
The InChIKey is UDOCGEWRJBZOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.C7H13NO2/c1-2-8(13)12-6-4-3-5-7(10)9(11)14;1-3-7(10)8-5-4-6(2)9/h7H,2-6,10H2,1H3,(H2,11,14)(H,12,13);3-5H2,1-2H3,(H,8,10).
What are the key properties of 2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide?
2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide has a molecular weight of 344.46 g/mol, XLogP of -0.01, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide is sourced from PubChem (CID 91198977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).