methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate

C19H30N2O4 — CID 101356132

IUPACmethyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
SMILESCCN(CC)C(CC(=O)OC)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H30N2O4/c1-7-21(8-2)16(13-17(22)24-6)14-9-11-15(12-10-14)20-18(23)25-19(3,4)5/h9-12,16H,7-8,13H2,1-6H3,(H,20,23)
InChIKeyGYGANRNJTPOMCB-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.98
Rot. Bonds7

About methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate

methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate (PubChem CID 101356132) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
PubChem CID101356132
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Namemethyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
SMILESCCN(CC)C(CC(=O)OC)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H30N2O4/c1-7-21(8-2)16(13-17(22)24-6)14-9-11-15(12-10-14)20-18(23)25-19(3,4)5/h9-12,16H,7-8,13H2,1-6H3,(H,20,23)
InChIKeyGYGANRNJTPOMCB-UHFFFAOYSA-N
XLogP3.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate with MolForge

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Related Compounds

tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
CID 65143042
methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 101356131
methyl (3R)-3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 118046253
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate
CID 107253386
ethane;methyl 7-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfanylheptanoate
CID 144961973
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
methyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
CID 170816117
tert-butyl N-[4-(2,2-difluoroethyl)phenyl]carbamate
CID 122648326
tert-butyl N-(4-butanoylphenyl)carbamate
CID 69331401
tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate
CID 58812989

Frequently Asked Questions

What is the IUPAC name of methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate?
The IUPAC name of methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate (CID 101356132) is methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate.
What is the SMILES notation for methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate?
The canonical SMILES for methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate is CCN(CC)C(CC(=O)OC)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate?
The InChIKey is GYGANRNJTPOMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-7-21(8-2)16(13-17(22)24-6)14-9-11-15(12-10-14)20-18(23)25-19(3,4)5/h9-12,16H,7-8,13H2,1-6H3,(H,20,23).
What are the key properties of methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate?
methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate has a molecular weight of 350.46 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate is sourced from PubChem (CID 101356132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).