methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate

C13H20N2O3 — CID 115918909

IUPACmethyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate
SMILESCCOCC(C)Nc1cccc(NC(=O)OC)c1
InChIInChI=1S/C13H20N2O3/c1-4-18-9-10(2)14-11-6-5-7-12(8-11)15-13(16)17-3/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyVEIPWMFIHYRGEI-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.70
Rot. Bonds6

About methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate

methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate (PubChem CID 115918909) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate
PubChem CID115918909
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Namemethyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate
SMILESCCOCC(C)Nc1cccc(NC(=O)OC)c1
InChIInChI=1S/C13H20N2O3/c1-4-18-9-10(2)14-11-6-5-7-12(8-11)15-13(16)17-3/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyVEIPWMFIHYRGEI-UHFFFAOYSA-N
XLogP2.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 115918848
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methyl N-[3-[[(2S)-pentan-2-yl]carbamoylamino]phenyl]carbamate
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methyl N-[3-(1-phenylethylamino)phenyl]carbamate
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methyl N-[3-(heptan-3-ylamino)phenyl]carbamate
CID 63945728
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
tert-butyl N-[3-(1-methoxybutan-2-ylamino)phenyl]carbamate
CID 107239913
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
methyl N-[3-(dicyclopropylmethylamino)phenyl]carbamate
CID 54864283
methyl N-[3-[(3-amino-2-methylpropanoyl)amino]phenyl]carbamate
CID 62670350
methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate
CID 54862261
N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline
CID 113353765

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate?
The IUPAC name of methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate (CID 115918909) is methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate is CCOCC(C)Nc1cccc(NC(=O)OC)c1.
What is the InChIKey of methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate?
The InChIKey is VEIPWMFIHYRGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-18-9-10(2)14-11-6-5-7-12(8-11)15-13(16)17-3/h5-8,10,14H,4,9H2,1-3H3,(H,15,16).
What are the key properties of methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate?
methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate has a molecular weight of 252.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate is sourced from PubChem (CID 115918909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).