[4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate

C17H18N2O4 — CID 130458380

IUPAC[4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate
SMILESCNc1ccc(COC(=O)Nc2ccc(COC=O)cc2)cc1
InChIInChI=1S/C17H18N2O4/c1-18-15-6-2-14(3-7-15)11-23-17(21)19-16-8-4-13(5-9-16)10-22-12-20/h2-9,12,18H,10-11H2,1H3,(H,19,21)
InChIKeyDFCVFTSLYLQFAI-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.15
Rot. Bonds7

About [4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate

[4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate (PubChem CID 130458380) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is [4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate.

Molecular Properties

Compound Name[4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate
PubChem CID130458380
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name[4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate
SMILESCNc1ccc(COC(=O)Nc2ccc(COC=O)cc2)cc1
InChIInChI=1S/C17H18N2O4/c1-18-15-6-2-14(3-7-15)11-23-17(21)19-16-8-4-13(5-9-16)10-22-12-20/h2-9,12,18H,10-11H2,1H3,(H,19,21)
InChIKeyDFCVFTSLYLQFAI-UHFFFAOYSA-N
XLogP3.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate
CID 155030194
(4-chlorophenyl)methyl N-[4-(2-oxoethyl)phenyl]carbamate
CID 171824056
[4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate
CID 134513469
(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
CID 171824814
[(Z)-3-[4-[[(E)-2-[[4-[(E)-2-(acetyloxymethyl)-3-prop-1-en-2-yloxyprop-1-enyl]phenoxy]methyl]-3-[4-[[4-[[4-(methylamino)phenyl]methoxy]phenyl]methoxycarbonylamino]phenyl]prop-2-enoxy]carbonylamino]phenyl]-2-(formyloxymethyl)prop-2-enyl] acetate;ethane;formaldehyde;formamide
CID 142894517
ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate
CID 142474647
[4-[4-(methylamino)phenyl]phenyl]methyl acetate
CID 160628710
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
[4-(methylamino)phenyl]methyl 2-sulfanylpropanoate
CID 139308060
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate?
The IUPAC name of [4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate (CID 130458380) is [4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate.
What is the SMILES notation for [4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate?
The canonical SMILES for [4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate is CNc1ccc(COC(=O)Nc2ccc(COC=O)cc2)cc1.
What is the InChIKey of [4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate?
The InChIKey is DFCVFTSLYLQFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-18-15-6-2-14(3-7-15)11-23-17(21)19-16-8-4-13(5-9-16)10-22-12-20/h2-9,12,18H,10-11H2,1H3,(H,19,21).
What are the key properties of [4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate?
[4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate has a molecular weight of 314.34 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate is sourced from PubChem (CID 130458380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).