N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride

C17H22ClN3O4 — CID 119700864

IUPACN-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCOCCNCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1.Cl
InChIInChI=1S/C17H21N3O4.ClH/c1-23-10-8-18-12-16(21)19-11-13-4-6-14(7-5-13)20-17(22)15-3-2-9-24-15;/h2-7,9,18H,8,10-12H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyIGVMPKSLBGANNQ-UHFFFAOYSA-N
MW367.83 g/mol
LogP1.81
Rot. Bonds9

About N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride

N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 119700864) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID119700864
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC NameN-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCOCCNCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1.Cl
InChIInChI=1S/C17H21N3O4.ClH/c1-23-10-8-18-12-16(21)19-11-13-4-6-14(7-5-13)20-17(22)15-3-2-9-24-15;/h2-7,9,18H,8,10-12H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyIGVMPKSLBGANNQ-UHFFFAOYSA-N
XLogP1.81
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide
CID 3229603
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
2-(2-methoxyethylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide;hydrochloride
CID 119707353
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide;oxalic acid
CID 175652948
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide
CID 24618608
2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 119706515
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride (CID 119700864) is N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride is COCCNCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1.Cl.
What is the InChIKey of N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is IGVMPKSLBGANNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4.ClH/c1-23-10-8-18-12-16(21)19-11-13-4-6-14(7-5-13)20-17(22)15-3-2-9-24-15;/h2-7,9,18H,8,10-12H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride?
N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 367.83 g/mol, XLogP of 1.81, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119700864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).