N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride

C19H22ClN3O3 — CID 119945005

IUPACN-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)NCc1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C19H21N3O3.ClH/c20-16-8-2-1-7-15(16)18(23)21-12-13-5-3-6-14(11-13)22-19(24)17-9-4-10-25-17;/h1-3,5-8,11,17H,4,9-10,12,20H2,(H,21,23)(H,22,24);1H
InChIKeyRGUIPNLSXWJPAD-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.74
Rot. Bonds5

About N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride

N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 119945005) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID119945005
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)NCc1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C19H21N3O3.ClH/c20-16-8-2-1-7-15(16)18(23)21-12-13-5-3-6-14(11-13)22-19(24)17-9-4-10-25-17;/h1-3,5-8,11,17H,4,9-10,12,20H2,(H,21,23)(H,22,24);1H
InChIKeyRGUIPNLSXWJPAD-UHFFFAOYSA-N
XLogP2.74
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305213
2-(dimethylamino)-N-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 95213762
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
2-(aminomethyl)-N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119752010
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470
N-[3-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305197

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride (CID 119945005) is N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride is Cl.Nc1ccccc1C(=O)NCc1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is RGUIPNLSXWJPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3.ClH/c20-16-8-2-1-7-15(16)18(23)21-12-13-5-3-6-14(11-13)22-19(24)17-9-4-10-25-17;/h1-3,5-8,11,17H,4,9-10,12,20H2,(H,21,23)(H,22,24);1H.
What are the key properties of N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride?
N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 375.86 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119945005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).