N-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride

C15H23ClN2O — CID 173236234

IUPACN-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride
SMILESC=CC(=O)NC(CC)c1ccccc1C(C)(C)N.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-5-13(17-14(18)6-2)11-9-7-8-10-12(11)15(3,4)16;/h6-10,13H,2,5,16H2,1,3-4H3,(H,17,18);1H
InChIKeyXXJDTLUWBHIDMS-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.06
Rot. Bonds5

About N-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride

N-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride (PubChem CID 173236234) has the molecular formula C15H23ClN2O and a molecular weight of 282.82 g/mol. Its IUPAC name is N-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride
PubChem CID173236234
Molecular FormulaC15H23ClN2O
Molecular Weight282.82 g/mol
Exact Mass282.15
IUPAC NameN-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride
SMILESC=CC(=O)NC(CC)c1ccccc1C(C)(C)N.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-5-13(17-14(18)6-2)11-9-7-8-10-12(11)15(3,4)16;/h6-10,13H,2,5,16H2,1,3-4H3,(H,17,18);1H
InChIKeyXXJDTLUWBHIDMS-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]octadec-9-enamide
CID 175384942
N-(2-butan-2-ylphenyl)prop-2-enamide
CID 60778016
[1-[2-(2-aminopropan-2-yl)phenyl]-1-prop-2-enoyloxyethyl] prop-2-enoate
CID 68900550
N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide
CID 81374722
N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide
CID 141155435
N-[2-(2-acetylphenyl)propan-2-yl]prop-2-enamide;hydrochloride
CID 174385229
(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide
CID 103928736
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
N-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide
CID 70113185
N-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide
CID 172814435
N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide
CID 167754681
N-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride?
The IUPAC name of N-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride (CID 173236234) is N-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride?
The canonical SMILES for N-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride is C=CC(=O)NC(CC)c1ccccc1C(C)(C)N.Cl.
What is the InChIKey of N-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride?
The InChIKey is XXJDTLUWBHIDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-5-13(17-14(18)6-2)11-9-7-8-10-12(11)15(3,4)16;/h6-10,13H,2,5,16H2,1,3-4H3,(H,17,18);1H.
What are the key properties of N-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride?
N-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride has a molecular weight of 282.82 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-aminopropan-2-yl)phenyl]propyl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 173236234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).