6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide

C14H26N4O4 — CID 59492094

IUPAC6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide
SMILESCCC(=O)NCCCCC(NC(=O)CNC(=O)CC)C(N)=O
InChIInChI=1S/C14H26N4O4/c1-3-11(19)16-8-6-5-7-10(14(15)22)18-13(21)9-17-12(20)4-2/h10H,3-9H2,1-2H3,(H2,15,22)(H,16,19)(H,17,20)(H,18,21)
InChIKeyHEGDNNATJIVNKY-UHFFFAOYSA-N
MW314.39 g/mol
LogP-0.82
Rot. Bonds11

About 6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide

6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide (PubChem CID 59492094) has the molecular formula C14H26N4O4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide.

Molecular Properties

Compound Name6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide
PubChem CID59492094
Molecular FormulaC14H26N4O4
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Name6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide
SMILESCCC(=O)NCCCCC(NC(=O)CNC(=O)CC)C(N)=O
InChIInChI=1S/C14H26N4O4/c1-3-11(19)16-8-6-5-7-10(14(15)22)18-13(21)9-17-12(20)4-2/h10H,3-9H2,1-2H3,(H2,15,22)(H,16,19)(H,17,20)(H,18,21)
InChIKeyHEGDNNATJIVNKY-UHFFFAOYSA-N
XLogP-0.82
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide
CID 170089451
N-(5-methyl-6-oxoheptyl)propanamide
CID 76588295
2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane
CID 142574713
5-[[2-[[2-[[6-amino-6-oxo-5-[(2-propoxyacetyl)amino]hexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-(butanoylamino)-5-oxopentanoic acid
CID 170149544
2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide
CID 118136970
[(2S)-1-[[2-[[(2S)-1-amino-6-(3-carboxypropanoylamino)-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium
CID 121232380
N-[1-amino-1-oxo-6-[3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]hexan-2-yl]dodecanamide
CID 87060981
(2S)-4-methyl-2-[6-(propanoylamino)hexanoylamino]pentanamide
CID 167209881
2-[[2-(tert-butylamino)acetyl]amino]-6-[[(4Z)-4-hydroxyiminopentanoyl]amino]hexanamide
CID 170449138
(2S)-6-acetamido-2-[[(2S)-2-[[(2S)-2,6-diacetamidohexanoyl]amino]-6-[(2-iodoacetyl)amino]hexanoyl]amino]hexanamide
CID 134131007
12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 25144019
8-amino-N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[(1,6-diamino-1-oxohexan-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]amino]-8-oxooctyl]amino]-1-oxohexan-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]octanamide
CID 71591729

Frequently Asked Questions

What is the IUPAC name of 6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide?
The IUPAC name of 6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide (CID 59492094) is 6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide.
What is the SMILES notation for 6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide?
The canonical SMILES for 6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide is CCC(=O)NCCCCC(NC(=O)CNC(=O)CC)C(N)=O.
What is the InChIKey of 6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide?
The InChIKey is HEGDNNATJIVNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4/c1-3-11(19)16-8-6-5-7-10(14(15)22)18-13(21)9-17-12(20)4-2/h10H,3-9H2,1-2H3,(H2,15,22)(H,16,19)(H,17,20)(H,18,21).
What are the key properties of 6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide?
6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide has a molecular weight of 314.39 g/mol, XLogP of -0.82, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide is sourced from PubChem (CID 59492094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).