methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane

C17H30N2O3 — CID 159616458

IUPACmethyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane
SMILESCCC.CCN(CCNC(=O)OC)Cc1ccccc1OC
InChIInChI=1S/C14H22N2O3.C3H8/c1-4-16(10-9-15-14(17)19-3)11-12-7-5-6-8-13(12)18-2;1-3-2/h5-8H,4,9-11H2,1-3H3,(H,15,17);3H2,1-2H3
InChIKeyMNIPMHTWMRZPDL-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.29
Rot. Bonds7

About methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane

methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane (PubChem CID 159616458) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane.

Molecular Properties

Compound Namemethyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane
PubChem CID159616458
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Namemethyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane
SMILESCCC.CCN(CCNC(=O)OC)Cc1ccccc1OC
InChIInChI=1S/C14H22N2O3.C3H8/c1-4-16(10-9-15-14(17)19-3)11-12-7-5-6-8-13(12)18-2;1-3-2/h5-8H,4,9-11H2,1-3H3,(H,15,17);3H2,1-2H3
InChIKeyMNIPMHTWMRZPDL-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]carbamate
CID 23625344
1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108899894
2,5-dichloro-3,6-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexylamino]cyclohexa-2,5-diene-1,4-dione
CID 23624875
methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate
CID 113060483
tert-butyl N-[2-[(3-cyano-2-fluorophenyl)methyl-ethylamino]ethyl]carbamate
CID 169245492
2-[ethyl(2-hydroxyethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 37097170
[2-[[16-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]hexadecyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate
CID 57129302
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
1-(3,4-dimethoxyphenyl)-7-[ethyl-[(2-methoxyphenyl)methyl]amino]heptan-1-one;hydrochloride
CID 19921887
2-[(2-anilino-2-oxoethyl)-[(2-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 4260439
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
tert-butyl N-[6-[(2-methoxyphenyl)methyl-[8-[(2-methoxyphenyl)methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]octyl]amino]-6-oxohexyl]carbamate
CID 11094031

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane?
The IUPAC name of methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane (CID 159616458) is methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane.
What is the SMILES notation for methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane?
The canonical SMILES for methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane is CCC.CCN(CCNC(=O)OC)Cc1ccccc1OC.
What is the InChIKey of methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane?
The InChIKey is MNIPMHTWMRZPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.C3H8/c1-4-16(10-9-15-14(17)19-3)11-12-7-5-6-8-13(12)18-2;1-3-2/h5-8H,4,9-11H2,1-3H3,(H,15,17);3H2,1-2H3.
What are the key properties of methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane?
methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane has a molecular weight of 310.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane is sourced from PubChem (CID 159616458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).