methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate

C17H22N2O4 — CID 60522515

IUPACmethyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCC(=O)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C17H22N2O4/c1-22-17(21)18-13-6-8-14(9-7-13)23-10-15(20)19-16(11-2-3-11)12-4-5-12/h6-9,11-12,16H,2-5,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyYEGRNOZGBCWGKY-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.55
Rot. Bonds7

About methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate

methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate (PubChem CID 60522515) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate
PubChem CID60522515
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namemethyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCC(=O)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C17H22N2O4/c1-22-17(21)18-13-6-8-14(9-7-13)23-10-15(20)19-16(11-2-3-11)12-4-5-12/h6-9,11-12,16H,2-5,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyYEGRNOZGBCWGKY-UHFFFAOYSA-N
XLogP2.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate
CID 94537723
methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 60522763
methyl N-[4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 47059941
methyl N-[4-[(dicyclopropylmethylamino)methyl]phenyl]carbamate
CID 75427648
methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate
CID 47059935
methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate
CID 34140038
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid
CID 63773425
N-[4-(dicyclopropylmethylamino)phenyl]-2-methoxyacetamide
CID 43717450
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide
CID 29465196
methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate
CID 47059933

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate (CID 60522515) is methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate is COC(=O)Nc1ccc(OCC(=O)NC(C2CC2)C2CC2)cc1.
What is the InChIKey of methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate?
The InChIKey is YEGRNOZGBCWGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-17(21)18-13-6-8-14(9-7-13)23-10-15(20)19-16(11-2-3-11)12-4-5-12/h6-9,11-12,16H,2-5,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate?
methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate has a molecular weight of 318.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate is sourced from PubChem (CID 60522515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).