methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate

C15H18N2O3 — CID 60942225

IUPACmethyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(C)c2ccc(C)o2)c1
InChIInChI=1S/C15H18N2O3/c1-10-7-8-14(20-10)11(2)16-12-5-4-6-13(9-12)17-15(18)19-3/h4-9,11,16H,1-3H3,(H,17,18)
InChIKeyMKLWSFXFBJHHJU-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.94
Rot. Bonds4

About methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate

methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate (PubChem CID 60942225) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
PubChem CID60942225
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(C)c2ccc(C)o2)c1
InChIInChI=1S/C15H18N2O3/c1-10-7-8-14(20-10)11(2)16-12-5-4-6-13(9-12)17-15(18)19-3/h4-9,11,16H,1-3H3,(H,17,18)
InChIKeyMKLWSFXFBJHHJU-UHFFFAOYSA-N
XLogP3.94
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43193733
methyl N-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
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methyl N-[3-(1-phenylethylamino)phenyl]carbamate
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3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
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methyl N-[3-(3-methoxybutan-2-ylamino)phenyl]carbamate
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methyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate
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3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine
CID 115376129
N-[2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetamide
CID 43735957
methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate
CID 83119373
methyl N-[3-(dicyclopropylmethylamino)phenyl]carbamate
CID 54864283
methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate
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methyl N-[3-(heptan-3-ylamino)phenyl]carbamate
CID 63945728

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate (CID 60942225) is methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate is COC(=O)Nc1cccc(NC(C)c2ccc(C)o2)c1.
What is the InChIKey of methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate?
The InChIKey is MKLWSFXFBJHHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-7-8-14(20-10)11(2)16-12-5-4-6-13(9-12)17-15(18)19-3/h4-9,11,16H,1-3H3,(H,17,18).
What are the key properties of methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate?
methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate has a molecular weight of 274.32 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 60942225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).