2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride

C15H22ClNO2 — CID 173000095

IUPAC2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)OCCNC(C)(C)c1ccccc1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-12(2)14(17)18-11-10-16-15(3,4)13-8-6-5-7-9-13;/h5-9,16H,1,10-11H2,2-4H3;1H
InChIKeySKJMBCQGYSDBDO-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.05
Rot. Bonds6

About 2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride

2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride (PubChem CID 173000095) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride.

Molecular Properties

Compound Name2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride
PubChem CID173000095
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)OCCNC(C)(C)c1ccccc1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-12(2)14(17)18-11-10-16-15(3,4)13-8-6-5-7-9-13;/h5-9,16H,1,10-11H2,2-4H3;1H
InChIKeySKJMBCQGYSDBDO-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
CID 122518351
4-trityloxybutyl 2-methylprop-2-enoate
CID 141487802
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
4-(2-phenylpropan-2-ylsulfanyl)butyl 2-methylprop-2-enoate
CID 66643500
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-phenylpropan-2-amine
CID 10811915
(4,4-dihydroxy-3-methyl-4-phenylbutyl) 2-methylprop-2-enoate
CID 150252991
tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197
CID 175978198
CID 175978198
benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 160874005
2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 138664730
2-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethyl 2-methylprop-2-enoate
CID 176797628
2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
CID 86753510

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride?
The IUPAC name of 2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride (CID 173000095) is 2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride.
What is the SMILES notation for 2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride?
The canonical SMILES for 2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride is C=C(C)C(=O)OCCNC(C)(C)c1ccccc1.Cl.
What is the InChIKey of 2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride?
The InChIKey is SKJMBCQGYSDBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-12(2)14(17)18-11-10-16-15(3,4)13-8-6-5-7-9-13;/h5-9,16H,1,10-11H2,2-4H3;1H.
What are the key properties of 2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride?
2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride is sourced from PubChem (CID 173000095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).