N-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride

C19H19ClN2O — CID 90681698

IUPACN-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride
SMILESCl.O=C(CNC1CC1)Nc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H18N2O.ClH/c22-18(12-20-15-9-10-15)21-19-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)19;/h1-8,11,15,20H,9-10,12H2,(H,21,22);1H
InChIKeyIFWNNDFLYISXDN-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.11
Rot. Bonds4

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

N-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride (PubChem CID 90681698) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is N-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride
PubChem CID90681698
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC NameN-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride
SMILESCl.O=C(CNC1CC1)Nc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H18N2O.ClH/c22-18(12-20-15-9-10-15)21-19-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)19;/h1-8,11,15,20H,9-10,12H2,(H,21,22);1H
InChIKeyIFWNNDFLYISXDN-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-N-naphthalen-2-ylacetamide
CID 54917835
2-(cyclopropylamino)-N-(2,4,6-trichlorophenyl)acetamide
CID 60647047
2-(cyclopropylamino)-1-naphthalen-1-ylethanone
CID 116555226
methyl 3-[[2-(cyclopropylamino)acetyl]amino]-1-benzothiophene-2-carboxylate
CID 61258667
2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid
CID 44784192
2-(cyclopropylamino)-N-[(6-methylnaphthalen-2-yl)methyl]acetamide
CID 115158482
2-(cyclopropylamino)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 62306837
3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid
CID 82830861
N-benzyl-2-[(4-hydroxycyclohexyl)amino]acetamide
CID 103601287
2-(cyclopentylamino)-N-(2,6-diethylphenyl)acetamide
CID 60647214
N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide
CID 60843404
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459

Frequently Asked Questions

What is the IUPAC name of N-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride?
The IUPAC name of N-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride (CID 90681698) is N-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride.
What is the SMILES notation for N-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride?
The canonical SMILES for N-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride is Cl.O=C(CNC1CC1)Nc1c2ccccc2cc2ccccc12.
What is the InChIKey of N-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride?
The InChIKey is IFWNNDFLYISXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O.ClH/c22-18(12-20-15-9-10-15)21-19-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)19;/h1-8,11,15,20H,9-10,12H2,(H,21,22);1H.
What are the key properties of N-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride?
N-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-anthracen-9-yl-2-(cyclopropylamino)acetamide;hydrochloride is sourced from PubChem (CID 90681698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).