butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine

C19H36N4O4 — CID 172598050

IUPACbutanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine
SMILESCCCC(=O)N1CCCC1C(=O)N1CCCC1C(N)=O.CCCC=O.CN
InChIInChI=1S/C14H23N3O3.C4H8O.CH5N/c1-2-5-12(18)16-8-4-7-11(16)14(20)17-9-3-6-10(17)13(15)19;1-2-3-4-5;1-2/h10-11H,2-9H2,1H3,(H2,15,19);4H,2-3H2,1H3;2H2,1H3
InChIKeyWYTHCNZKYGTXHR-UHFFFAOYSA-N
MW384.52 g/mol
LogP0.81
Rot. Bonds6

About butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine

butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine (PubChem CID 172598050) has the molecular formula C19H36N4O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine.

Molecular Properties

Compound Namebutanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine
PubChem CID172598050
Molecular FormulaC19H36N4O4
Molecular Weight384.52 g/mol
Exact Mass384.27
IUPAC Namebutanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine
SMILESCCCC(=O)N1CCCC1C(=O)N1CCCC1C(N)=O.CCCC=O.CN
InChIInChI=1S/C14H23N3O3.C4H8O.CH5N/c1-2-5-12(18)16-8-4-7-11(16)14(20)17-9-3-6-10(17)13(15)19;1-2-3-4-5;1-2/h10-11H,2-9H2,1H3,(H2,15,19);4H,2-3H2,1H3;2H2,1H3
InChIKeyWYTHCNZKYGTXHR-UHFFFAOYSA-N
XLogP0.81
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 145005819
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
butanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 172598013
1-butanoylpyrrolidine-2-carbaldehyde;1-methylpyrrolidine-2-carboxamide
CID 172597996
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
hexane;1-propanoylpyrrolidine-2-carboxamide
CID 145081493
1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide
CID 76688417
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166
4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 43222532
1-propanoylpiperidine-2-carboxamide
CID 60717244

Frequently Asked Questions

What is the IUPAC name of butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine?
The IUPAC name of butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine (CID 172598050) is butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine.
What is the SMILES notation for butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine?
The canonical SMILES for butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine is CCCC(=O)N1CCCC1C(=O)N1CCCC1C(N)=O.CCCC=O.CN.
What is the InChIKey of butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine?
The InChIKey is WYTHCNZKYGTXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3.C4H8O.CH5N/c1-2-5-12(18)16-8-4-7-11(16)14(20)17-9-3-6-10(17)13(15)19;1-2-3-4-5;1-2/h10-11H,2-9H2,1H3,(H2,15,19);4H,2-3H2,1H3;2H2,1H3.
What are the key properties of butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine?
butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine has a molecular weight of 384.52 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine is sourced from PubChem (CID 172598050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).