N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide

C18H18N2O3 — CID 97011235

IUPACN-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(c1ccc[nH]1)N(Cc1ccccc1)C[C@H](O)c1ccco1
InChIInChI=1S/C18H18N2O3/c21-16(17-9-5-11-23-17)13-20(12-14-6-2-1-3-7-14)18(22)15-8-4-10-19-15/h1-11,16,19,21H,12-13H2/t16-/m0/s1
InChIKeyWGWNOBQTZFABRS-INIZCTEOSA-N
MW310.35 g/mol
LogP2.98
Rot. Bonds6

About N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide

N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide (PubChem CID 97011235) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
PubChem CID97011235
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(c1ccc[nH]1)N(Cc1ccccc1)C[C@H](O)c1ccco1
InChIInChI=1S/C18H18N2O3/c21-16(17-9-5-11-23-17)13-20(12-14-6-2-1-3-7-14)18(22)15-8-4-10-19-15/h1-11,16,19,21H,12-13H2/t16-/m0/s1
InChIKeyWGWNOBQTZFABRS-INIZCTEOSA-N
XLogP2.98
TPSA69.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-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

N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide
CID 111969855
N-benzyl-5-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 111969853
N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 111969862
N-benzyl-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-6-methylpyridine-2-carboxamide
CID 97011240
N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 146129495
N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 84586214
N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 60682006
N-benzyl-2,4-difluoro-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylbenzamide
CID 75425042
(Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide
CID 110025714
N-benzyl-1-tert-butyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide
CID 139004625
2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 120638257
2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638256

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide (CID 97011235) is N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide is O=C(c1ccc[nH]1)N(Cc1ccccc1)C[C@H](O)c1ccco1.
What is the InChIKey of N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WGWNOBQTZFABRS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-16(17-9-5-11-23-17)13-20(12-14-6-2-1-3-7-14)18(22)15-8-4-10-19-15/h1-11,16,19,21H,12-13H2/t16-/m0/s1.
What are the key properties of N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?
N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 97011235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).