N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide

C15H20N4O5 — CID 9218953

IUPACN-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C15H20N4O5/c20-12(9-16-15(23)11-5-4-8-24-11)17-18-13(21)10-19-7-3-1-2-6-14(19)22/h4-5,8H,1-3,6-7,9-10H2,(H,16,23)(H,17,20)(H,18,21)
InChIKeyRORXQABSUIHKSM-UHFFFAOYSA-N
MW336.35 g/mol
LogP-0.44
Rot. Bonds5

About N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide

N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide (PubChem CID 9218953) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
PubChem CID9218953
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC NameN-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C15H20N4O5/c20-12(9-16-15(23)11-5-4-8-24-11)17-18-13(21)10-19-7-3-1-2-6-14(19)22/h4-5,8H,1-3,6-7,9-10H2,(H,16,23)(H,17,20)(H,18,21)
InChIKeyRORXQABSUIHKSM-UHFFFAOYSA-N
XLogP-0.44
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 78865625
3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide
CID 9218955
N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
CID 9218984
N-[2-oxo-2-[[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]amino]ethyl]furan-2-carboxamide
CID 8589592
2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
CID 47116839
1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one
CID 74239747
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9185791
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 18144018
N-[3-(furan-2-yl)-3-phenylpropyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 131923564
1-[(4-methoxyphenyl)methyl]-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea
CID 8677198

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide (CID 9218953) is N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)NNC(=O)CN1CCCCCC1=O.
What is the InChIKey of N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide?
The InChIKey is RORXQABSUIHKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c20-12(9-16-15(23)11-5-4-8-24-11)17-18-13(21)10-19-7-3-1-2-6-14(19)22/h4-5,8H,1-3,6-7,9-10H2,(H,16,23)(H,17,20)(H,18,21).
What are the key properties of N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide?
N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 9218953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).