N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal

C13H26N2O3 — CID 91096311

IUPACN-(7-amino-2-oxoheptan-3-yl)propanamide;propanal
SMILESCCC(=O)NC(CCCCN)C(C)=O.CCC=O
InChIInChI=1S/C10H20N2O2.C3H6O/c1-3-10(14)12-9(8(2)13)6-4-5-7-11;1-2-3-4/h9H,3-7,11H2,1-2H3,(H,12,14);3H,2H2,1H3
InChIKeyAIKNWUCVUGMVQQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.19
Rot. Bonds8

About N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal

N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal (PubChem CID 91096311) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal.

Molecular Properties

Compound NameN-(7-amino-2-oxoheptan-3-yl)propanamide;propanal
PubChem CID91096311
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-(7-amino-2-oxoheptan-3-yl)propanamide;propanal
SMILESCCC(=O)NC(CCCCN)C(C)=O.CCC=O
InChIInChI=1S/C10H20N2O2.C3H6O/c1-3-10(14)12-9(8(2)13)6-4-5-7-11;1-2-3-4/h9H,3-7,11H2,1-2H3,(H,12,14);3H,2H2,1H3
InChIKeyAIKNWUCVUGMVQQ-UHFFFAOYSA-N
XLogP1.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxohexan-3-yl)propanamide
CID 177190618
6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane
CID 170713669
N-(7-amino-2-oxoheptan-3-yl)-4-oxohexadecanamide
CID 153239973
(2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide
CID 178156190
N-[(3S)-1,4-dioxopentan-3-yl]propanamide
CID 155017240
N-(7-amino-2-oxoheptan-3-yl)-6-(5-aminopentanoylamino)-2-(hexanoylamino)hexanamide
CID 144955370
CID 171042672
CID 171042672
7-amino-3-(methylamino)heptan-2-one;ethane
CID 153401274
(2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid
CID 118384370
6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219
N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide
CID 134583700
[(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane
CID 160658433

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal?
The IUPAC name of N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal (CID 91096311) is N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal.
What is the SMILES notation for N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal?
The canonical SMILES for N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal is CCC(=O)NC(CCCCN)C(C)=O.CCC=O.
What is the InChIKey of N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal?
The InChIKey is AIKNWUCVUGMVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.C3H6O/c1-3-10(14)12-9(8(2)13)6-4-5-7-11;1-2-3-4/h9H,3-7,11H2,1-2H3,(H,12,14);3H,2H2,1H3.
What are the key properties of N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal?
N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal has a molecular weight of 258.36 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal is sourced from PubChem (CID 91096311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).