N-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride

C19H21ClN2O2 — CID 90644034

IUPACN-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCCCO)Nc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H20N2O2.ClH/c22-11-5-10-20-13-18(23)21-19-16-8-3-1-6-14(16)12-15-7-2-4-9-17(15)19;/h1-4,6-9,12,20,22H,5,10-11,13H2,(H,21,23);1H
InChIKeyDWXWBKBMRQUVQL-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.33
Rot. Bonds6

About N-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride

N-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride (PubChem CID 90644034) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride
PubChem CID90644034
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCCCO)Nc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H20N2O2.ClH/c22-11-5-10-20-13-18(23)21-19-16-8-3-1-6-14(16)12-15-7-2-4-9-17(15)19;/h1-4,6-9,12,20,22H,5,10-11,13H2,(H,21,23);1H
InChIKeyDWXWBKBMRQUVQL-UHFFFAOYSA-N
XLogP3.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride?
The IUPAC name of N-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride (CID 90644034) is N-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride.
What is the SMILES notation for N-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride?
The canonical SMILES for N-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride is Cl.O=C(CNCCCO)Nc1c2ccccc2cc2ccccc12.
What is the InChIKey of N-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride?
The InChIKey is DWXWBKBMRQUVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.ClH/c22-11-5-10-20-13-18(23)21-19-16-8-3-1-6-14(16)12-15-7-2-4-9-17(15)19;/h1-4,6-9,12,20,22H,5,10-11,13H2,(H,21,23);1H.
What are the key properties of N-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride?
N-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride is sourced from PubChem (CID 90644034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).