N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride

C17H22ClN3O5 — CID 119501659

IUPACN-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1.Cl
InChIInChI=1S/C17H21N3O5.ClH/c1-18-6-7-19-16(21)11-9-14(23-2)15(24-3)10-12(11)20-17(22)13-5-4-8-25-13;/h4-5,8-10,18H,6-7H2,1-3H3,(H,19,21)(H,20,22);1H
InChIKeyMUAHGMAOZBYUAZ-UHFFFAOYSA-N
MW383.83 g/mol
LogP1.92
Rot. Bonds8

About N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride

N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 119501659) has the molecular formula C17H22ClN3O5 and a molecular weight of 383.83 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID119501659
Molecular FormulaC17H22ClN3O5
Molecular Weight383.83 g/mol
Exact Mass383.12
IUPAC NameN-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1.Cl
InChIInChI=1S/C17H21N3O5.ClH/c1-18-6-7-19-16(21)11-9-14(23-2)15(24-3)10-12(11)20-17(22)13-5-4-8-25-13;/h4-5,8-10,18H,6-7H2,1-3H3,(H,19,21)(H,20,22);1H
InChIKeyMUAHGMAOZBYUAZ-UHFFFAOYSA-N
XLogP1.92
TPSA101.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4,5-dimethoxy-2-[[(2R)-2-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9456873
methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate
CID 4788337
N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 119511764
2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 24530674
N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
CID 2989497
N-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
CID 119666392
N-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 154748220
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 30758901
[2-(carbamoylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534373
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
N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide
CID 3169047
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 3998206

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride (CID 119501659) is N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride is CNCCNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1.Cl.
What is the InChIKey of N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is MUAHGMAOZBYUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5.ClH/c1-18-6-7-19-16(21)11-9-14(23-2)15(24-3)10-12(11)20-17(22)13-5-4-8-25-13;/h4-5,8-10,18H,6-7H2,1-3H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 383.83 g/mol, XLogP of 1.92, 8 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-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119501659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).