methyl N-[3-(1-phenylethylamino)phenyl]carbamate

C16H18N2O2 — CID 60942216

IUPACmethyl N-[3-(1-phenylethylamino)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(C)c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-12(13-7-4-3-5-8-13)17-14-9-6-10-15(11-14)18-16(19)20-2/h3-12,17H,1-2H3,(H,18,19)
InChIKeyOINSROMQEMPSEB-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.04
Rot. Bonds4

About methyl N-[3-(1-phenylethylamino)phenyl]carbamate

methyl N-[3-(1-phenylethylamino)phenyl]carbamate (PubChem CID 60942216) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl N-[3-(1-phenylethylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(1-phenylethylamino)phenyl]carbamate
PubChem CID60942216
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl N-[3-(1-phenylethylamino)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(C)c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-12(13-7-4-3-5-8-13)17-14-9-6-10-15(11-14)18-16(19)20-2/h3-12,17H,1-2H3,(H,18,19)
InChIKeyOINSROMQEMPSEB-UHFFFAOYSA-N
XLogP4.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(1-phenylethylamino)-N-propan-2-ylbenzamide
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[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea
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methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate
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N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide
CID 43761396
methyl N-[3-(dicyclopropylmethylamino)phenyl]carbamate
CID 54864283
methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate
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N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate
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methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(1-phenylethylamino)phenyl]carbamate?
The IUPAC name of methyl N-[3-(1-phenylethylamino)phenyl]carbamate (CID 60942216) is methyl N-[3-(1-phenylethylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(1-phenylethylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(1-phenylethylamino)phenyl]carbamate is COC(=O)Nc1cccc(NC(C)c2ccccc2)c1.
What is the InChIKey of methyl N-[3-(1-phenylethylamino)phenyl]carbamate?
The InChIKey is OINSROMQEMPSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(13-7-4-3-5-8-13)17-14-9-6-10-15(11-14)18-16(19)20-2/h3-12,17H,1-2H3,(H,18,19).
What are the key properties of methyl N-[3-(1-phenylethylamino)phenyl]carbamate?
methyl N-[3-(1-phenylethylamino)phenyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(1-phenylethylamino)phenyl]carbamate is sourced from PubChem (CID 60942216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).