[4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride

C19H21ClN2O3 — CID 175091408

IUPAC[4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride
SMILESCNCC(=O)NCCc1ccc2cccc3c2c1C=CC3OC=O.Cl
InChIInChI=1S/C19H20N2O3.ClH/c1-20-11-18(23)21-10-9-13-5-6-14-3-2-4-16-17(24-12-22)8-7-15(13)19(14)16;/h2-8,12,17,20H,9-11H2,1H3,(H,21,23);1H
InChIKeyLWVZJBZSLPDOPW-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.38
Rot. Bonds7

About [4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride

[4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride (PubChem CID 175091408) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is [4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride.

Molecular Properties

Compound Name[4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride
PubChem CID175091408
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name[4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride
SMILESCNCC(=O)NCCc1ccc2cccc3c2c1C=CC3OC=O.Cl
InChIInChI=1S/C19H20N2O3.ClH/c1-20-11-18(23)21-10-9-13-5-6-14-3-2-4-16-17(24-12-22)8-7-15(13)19(14)16;/h2-8,12,17,20H,9-11H2,1H3,(H,21,23);1H
InChIKeyLWVZJBZSLPDOPW-UHFFFAOYSA-N
XLogP2.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride with MolForge

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Related Compounds

(4-decyl-1H-phenalen-1-yl) pentanoate
CID 175291054
(4-ethyl-1H-phenalen-1-yl) 5-methylhexanoate
CID 174761985
(4-ethyl-1H-phenalen-1-yl) hexanoate
CID 174761488
N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119772879
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
2-(cyclopropylmethylamino)-N-(2-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119722515
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
CID 119722500
2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
CID 110479076
2-(cyclopropylmethylamino)-N-(2-naphthalen-1-ylethyl)acetamide
CID 119722516
2-(2-methoxyethylamino)-N-(2-naphthalen-1-ylethyl)acetamide
CID 119722532
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 115152018

Frequently Asked Questions

What is the IUPAC name of [4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride?
The IUPAC name of [4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride (CID 175091408) is [4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride.
What is the SMILES notation for [4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride?
The canonical SMILES for [4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride is CNCC(=O)NCCc1ccc2cccc3c2c1C=CC3OC=O.Cl.
What is the InChIKey of [4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride?
The InChIKey is LWVZJBZSLPDOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3.ClH/c1-20-11-18(23)21-10-9-13-5-6-14-3-2-4-16-17(24-12-22)8-7-15(13)19(14)16;/h2-8,12,17,20H,9-11H2,1H3,(H,21,23);1H.
What are the key properties of [4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride?
[4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride has a molecular weight of 360.84 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[[2-(methylamino)acetyl]amino]ethyl]-1H-phenalen-1-yl] formate;hydrochloride is sourced from PubChem (CID 175091408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).