butanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

C18H32N4O5 — CID 172598013

IUPACbutanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCC(O)CC(=O)N1CCCC1C(=O)N1CCCC1C(N)=O.CCCC(N)=O
InChIInChI=1S/C14H23N3O4.C4H9NO/c1-9(18)8-12(19)16-6-3-5-11(16)14(21)17-7-2-4-10(17)13(15)20;1-2-3-4(5)6/h9-11,18H,2-8H2,1H3,(H2,15,20);2-3H2,1H3,(H2,5,6)
InChIKeyAIQSYWZIKFYTJT-UHFFFAOYSA-N
MW384.48 g/mol
LogP-0.50
Rot. Bonds6

About butanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

butanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 172598013) has the molecular formula C18H32N4O5 and a molecular weight of 384.48 g/mol. Its IUPAC name is butanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Namebutanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
PubChem CID172598013
Molecular FormulaC18H32N4O5
Molecular Weight384.48 g/mol
Exact Mass384.24
IUPAC Namebutanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCC(O)CC(=O)N1CCCC1C(=O)N1CCCC1C(N)=O.CCCC(N)=O
InChIInChI=1S/C14H23N3O4.C4H9NO/c1-9(18)8-12(19)16-6-3-5-11(16)14(21)17-7-2-4-10(17)13(15)20;1-2-3-4(5)6/h9-11,18H,2-8H2,1H3,(H2,15,20);2-3H2,1H3,(H2,5,6)
InChIKeyAIQSYWZIKFYTJT-UHFFFAOYSA-N
XLogP-0.50
TPSA147.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 145005819
butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine
CID 172598050
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 139391002
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
hexane;1-propanoylpyrrolidine-2-carboxamide
CID 145081493
1-propanoylpiperidine-2-carboxamide
CID 60717244
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide
CID 76688417
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946

Frequently Asked Questions

What is the IUPAC name of butanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of butanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (CID 172598013) is butanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for butanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for butanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is CC(O)CC(=O)N1CCCC1C(=O)N1CCCC1C(N)=O.CCCC(N)=O.
What is the InChIKey of butanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is AIQSYWZIKFYTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4.C4H9NO/c1-9(18)8-12(19)16-6-3-5-11(16)14(21)17-7-2-4-10(17)13(15)20;1-2-3-4(5)6/h9-11,18H,2-8H2,1H3,(H2,15,20);2-3H2,1H3,(H2,5,6).
What are the key properties of butanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
butanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 172598013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).