N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide

C19H23N3O5 — CID 119511764

IUPACN-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)NCC2CCCN2)cc1OC
InChIInChI=1S/C19H23N3O5/c1-25-16-9-13(18(23)21-11-12-5-3-7-20-12)14(10-17(16)26-2)22-19(24)15-6-4-8-27-15/h4,6,8-10,12,20H,3,5,7,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFNNHPLDPLODUAI-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.03
Rot. Bonds7

About N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide

N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 119511764) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID119511764
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)NCC2CCCN2)cc1OC
InChIInChI=1S/C19H23N3O5/c1-25-16-9-13(18(23)21-11-12-5-3-7-20-12)14(10-17(16)26-2)22-19(24)15-6-4-8-27-15/h4,6,8-10,12,20H,3,5,7,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFNNHPLDPLODUAI-UHFFFAOYSA-N
XLogP2.03
TPSA101.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119501659
N-[4,5-dimethoxy-2-[[(2R)-2-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9456873
N-[4-methyl-5-(pyrrolidin-2-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119511877
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4,5-dimethoxyphenyl]furan-2-carboxamide;hydrochloride
CID 120657177
2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 24530674
N-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 154748220
5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
CID 11741085
N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
CID 2989497
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534370
[2-(carbamoylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534373
N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide
CID 3169047
5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 14665499

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide (CID 119511764) is N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccco2)c(C(=O)NCC2CCCN2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is FNNHPLDPLODUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-25-16-9-13(18(23)21-11-12-5-3-7-20-12)14(10-17(16)26-2)22-19(24)15-6-4-8-27-15/h4,6,8-10,12,20H,3,5,7,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 119511764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).