4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone

C22H27NO3 — CID 175127791

IUPAC4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone
SMILESC=C(C)C(=O)OC(C)CC(C)N.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C9H17NO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(2)9(11)12-8(4)5-7(3)10/h1-10H;7-8H,1,5,10H2,2-4H3
InChIKeyWUINKKJEMZQLLF-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.15
Rot. Bonds6

About 4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone

4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone (PubChem CID 175127791) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone.

Molecular Properties

Compound Name4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone
PubChem CID175127791
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone
SMILESC=C(C)C(=O)OC(C)CC(C)N.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C9H17NO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(2)9(11)12-8(4)5-7(3)10/h1-10H;7-8H,1,5,10H2,2-4H3
InChIKeyWUINKKJEMZQLLF-UHFFFAOYSA-N
XLogP4.15
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate
CID 145165282
(1-benzamido-1-oxopropan-2-yl) 2-methylprop-2-enoate
CID 134463310
(4-benzoylphenyl)methyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 142702934
(4-benzoylphenyl)methyl 2-methylprop-2-enoate
CID 140797450
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
(1-amino-1-phenylpropan-2-yl) 2-methylprop-2-enoate;hydrochloride
CID 173341701
1-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl 2-methylprop-2-enoate
CID 174820774
2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid
CID 23221364
1-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
CID 175289808
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984

Frequently Asked Questions

What is the IUPAC name of 4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone?
The IUPAC name of 4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone (CID 175127791) is 4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone.
What is the SMILES notation for 4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone?
The canonical SMILES for 4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone is C=C(C)C(=O)OC(C)CC(C)N.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone?
The InChIKey is WUINKKJEMZQLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C9H17NO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(2)9(11)12-8(4)5-7(3)10/h1-10H;7-8H,1,5,10H2,2-4H3.
What are the key properties of 4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone?
4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone has a molecular weight of 353.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone is sourced from PubChem (CID 175127791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).