N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide

C13H17N3O4 — CID 62046066

IUPACN-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide
SMILESO=C1CCN(C(=O)CCNC(=O)c2ccoc2)CCN1
InChIInChI=1S/C13H17N3O4/c17-11-2-6-16(7-5-14-11)12(18)1-4-15-13(19)10-3-8-20-9-10/h3,8-9H,1-2,4-7H2,(H,14,17)(H,15,19)
InChIKeyRIPHTCGAFQFVRS-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.25
Rot. Bonds4

About N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide

N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide (PubChem CID 62046066) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide
PubChem CID62046066
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide
SMILESO=C1CCN(C(=O)CCNC(=O)c2ccoc2)CCN1
InChIInChI=1S/C13H17N3O4/c17-11-2-6-16(7-5-14-11)12(18)1-4-15-13(19)10-3-8-20-9-10/h3,8-9H,1-2,4-7H2,(H,14,17)(H,15,19)
InChIKeyRIPHTCGAFQFVRS-UHFFFAOYSA-N
XLogP-0.25
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 63608264
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 62917113
N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 38699898
N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]cyclopentanecarboxamide
CID 62045557
N-[4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butyl]thiophene-2-carboxamide
CID 62047445
N-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 115775397
1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355669
N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 28709234
N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 119402669
N-[1-oxo-1-(5-oxo-1-oxa-4,8-diazacycloundec-8-yl)-3-phenylpropan-2-yl]furan-3-carboxamide
CID 156611942
2-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]isoindole-1,3-dione
CID 110727933
1-(2-anilinoacetyl)-1,4-diazepan-5-one
CID 63004979

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide?
The IUPAC name of N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide (CID 62046066) is N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide is O=C1CCN(C(=O)CCNC(=O)c2ccoc2)CCN1.
What is the InChIKey of N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide?
The InChIKey is RIPHTCGAFQFVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-11-2-6-16(7-5-14-11)12(18)1-4-15-13(19)10-3-8-20-9-10/h3,8-9H,1-2,4-7H2,(H,14,17)(H,15,19).
What are the key properties of N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide?
N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide is sourced from PubChem (CID 62046066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).