2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide

C17H26N2O3 — CID 94812013

IUPAC2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide
SMILESCCC[C@@H]1CCCN(C(=O)CNC(=O)c2ccoc2C)CC1
InChIInChI=1S/C17H26N2O3/c1-3-5-14-6-4-9-19(10-7-14)16(20)12-18-17(21)15-8-11-22-13(15)2/h8,11,14H,3-7,9-10,12H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyTVXMFAGQUBEJGM-CQSZACIVSA-N
MW306.41 g/mol
LogP2.75
Rot. Bonds5

About 2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide

2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide (PubChem CID 94812013) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide
PubChem CID94812013
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide
SMILESCCC[C@@H]1CCCN(C(=O)CNC(=O)c2ccoc2C)CC1
InChIInChI=1S/C17H26N2O3/c1-3-5-14-6-4-9-19(10-7-14)16(20)12-18-17(21)15-8-11-22-13(15)2/h8,11,14H,3-7,9-10,12H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyTVXMFAGQUBEJGM-CQSZACIVSA-N
XLogP2.75
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide
CID 47713489
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55851005
2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide
CID 75470771
2-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethyl]furan-3-carboxamide
CID 78893856
2-methyl-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]furan-3-carboxamide
CID 55834295
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55830266
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
2-methyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 35352937
2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide
CID 71864173
(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone
CID 49008152
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 110907232
N-(2-cyclopentyl-2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 111426337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide (CID 94812013) is 2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide is CCC[C@@H]1CCCN(C(=O)CNC(=O)c2ccoc2C)CC1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide?
The InChIKey is TVXMFAGQUBEJGM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-5-14-6-4-9-19(10-7-14)16(20)12-18-17(21)15-8-11-22-13(15)2/h8,11,14H,3-7,9-10,12H2,1-2H3,(H,18,21)/t14-/m1/s1.
What are the key properties of 2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide?
2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 94812013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).