3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide

C17H30N4O3 — CID 20664926

IUPAC3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
SMILESO=C(CC(=O)NCCN1CCCC1)CC(=O)NCCN1CCCC1
InChIInChI=1S/C17H30N4O3/c22-15(13-16(23)18-5-11-20-7-1-2-8-20)14-17(24)19-6-12-21-9-3-4-10-21/h1-14H2,(H,18,23)(H,19,24)
InChIKeyQXVWLVWNXXQOTR-UHFFFAOYSA-N
MW338.45 g/mol
LogP-0.24
Rot. Bonds10

About 3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide

3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide (PubChem CID 20664926) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide.

Molecular Properties

Compound Name3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
PubChem CID20664926
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
SMILESO=C(CC(=O)NCCN1CCCC1)CC(=O)NCCN1CCCC1
InChIInChI=1S/C17H30N4O3/c22-15(13-16(23)18-5-11-20-7-1-2-8-20)14-17(24)19-6-12-21-9-3-4-10-21/h1-14H2,(H,18,23)(H,19,24)
InChIKeyQXVWLVWNXXQOTR-UHFFFAOYSA-N
XLogP-0.24
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 143432690
3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide
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N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
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2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 167457689
N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide
CID 79193390
2-pyrrolidin-1-ylethylurea;dihydrochloride
CID 174538220
4-hydroxy-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 79200302
5-[2-(azepan-1-yl)ethylamino]-5-oxopentanoic acid
CID 53211701
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-[2-[2-(azepan-1-yl)ethylamino]-2-oxoethoxy]acetic acid
CID 53211349
2-(4-aminopiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 79332156

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide?
The IUPAC name of 3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide (CID 20664926) is 3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide.
What is the SMILES notation for 3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide?
The canonical SMILES for 3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide is O=C(CC(=O)NCCN1CCCC1)CC(=O)NCCN1CCCC1.
What is the InChIKey of 3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide?
The InChIKey is QXVWLVWNXXQOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c22-15(13-16(23)18-5-11-20-7-1-2-8-20)14-17(24)19-6-12-21-9-3-4-10-21/h1-14H2,(H,18,23)(H,19,24).
What are the key properties of 3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide?
3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide has a molecular weight of 338.45 g/mol, XLogP of -0.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide is sourced from PubChem (CID 20664926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).