N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride

C17H26ClN3O4 — CID 120603852

IUPACN-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)CCOCC1CCCO1
InChIInChI=1S/C17H25N3O4.ClH/c18-8-9-19-17(22)14-5-1-2-6-15(14)20-16(21)7-11-23-12-13-4-3-10-24-13;/h1-2,5-6,13H,3-4,7-12,18H2,(H,19,22)(H,20,21);1H
InChIKeyREHQIYIEXPSYLX-UHFFFAOYSA-N
MW371.87 g/mol
LogP1.32
Rot. Bonds9

About N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride

N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride (PubChem CID 120603852) has the molecular formula C17H26ClN3O4 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride
PubChem CID120603852
Molecular FormulaC17H26ClN3O4
Molecular Weight371.87 g/mol
Exact Mass371.16
IUPAC NameN-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)CCOCC1CCCO1
InChIInChI=1S/C17H25N3O4.ClH/c18-8-9-19-17(22)14-5-1-2-6-15(14)20-16(21)7-11-23-12-13-4-3-10-24-13;/h1-2,5-6,13H,3-4,7-12,18H2,(H,19,22)(H,20,21);1H
InChIKeyREHQIYIEXPSYLX-UHFFFAOYSA-N
XLogP1.32
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 51.32
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

2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308
N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
CID 41145376
N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94025746
2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43059773
2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17321079
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582
1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 40881806
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride (CID 120603852) is N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride is Cl.NCCNC(=O)c1ccccc1NC(=O)CCOCC1CCCO1.
What is the InChIKey of N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride?
The InChIKey is REHQIYIEXPSYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4.ClH/c18-8-9-19-17(22)14-5-1-2-6-15(14)20-16(21)7-11-23-12-13-4-3-10-24-13;/h1-2,5-6,13H,3-4,7-12,18H2,(H,19,22)(H,20,21);1H.
What are the key properties of N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride?
N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 1.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride is sourced from PubChem (CID 120603852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).