ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate

C19H29NO2 — CID 13218496

IUPACethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CC1CN(C(C)C)C(C)C
InChIInChI=1S/C19H29NO2/c1-6-22-18(21)19(16-10-8-7-9-11-16)12-17(19)13-20(14(2)3)15(4)5/h7-11,14-15,17H,6,12-13H2,1-5H3
InChIKeyDPHGQUKOZNRPFO-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.63
Rot. Bonds7

About ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate

ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate (PubChem CID 13218496) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
PubChem CID13218496
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Nameethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CC1CN(C(C)C)C(C)C
InChIInChI=1S/C19H29NO2/c1-6-22-18(21)19(16-10-8-7-9-11-16)12-17(19)13-20(14(2)3)15(4)5/h7-11,14-15,17H,6,12-13H2,1-5H3
InChIKeyDPHGQUKOZNRPFO-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
CID 13245327
ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
CID 13218449
cis-ethyl (1R,2S)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxylate;hydrochloride
CID 13218479
ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride
CID 70344670
methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride
CID 45261511
trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 102087442
ethyl (1R,2S,4R)-2-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 93483976
2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride
CID 13208107
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238
ethyl (3R,4R)-4-hydroxy-5-oxo-3-phenyloxolane-3-carboxylate
CID 10332326
cis-methyl (1R,2S)-2-[(dicyclohexylamino)methyl]-1-phenylcyclopropane-1-carboxylate
CID 101061974
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate (CID 13218496) is ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate is CCOC(=O)C1(c2ccccc2)CC1CN(C(C)C)C(C)C.
What is the InChIKey of ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate?
The InChIKey is DPHGQUKOZNRPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-6-22-18(21)19(16-10-8-7-9-11-16)12-17(19)13-20(14(2)3)15(4)5/h7-11,14-15,17H,6,12-13H2,1-5H3.
What are the key properties of ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate?
ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate has a molecular weight of 303.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 13218496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).