(3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate

C16H16N2O4 — CID 88846842

IUPAC(3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)Oc2cccc(NC=O)c2)cc1
InChIInChI=1S/C16H16N2O4/c1-21-14-7-5-12(6-8-14)10-17-16(20)22-15-4-2-3-13(9-15)18-11-19/h2-9,11H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyIJGCYTXTMLKRSC-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.55
Rot. Bonds6

About (3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate

(3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate (PubChem CID 88846842) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name(3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate
PubChem CID88846842
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)Oc2cccc(NC=O)c2)cc1
InChIInChI=1S/C16H16N2O4/c1-21-14-7-5-12(6-8-14)10-17-16(20)22-15-4-2-3-13(9-15)18-11-19/h2-9,11H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyIJGCYTXTMLKRSC-UHFFFAOYSA-N
XLogP2.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
6-N-(3-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109098040
2-[(4-methoxyphenyl)methylamino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 54837882
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
(1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate
CID 86659867
[3-[[4-[[(4-methoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928173
[4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate
CID 140752895
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(3-methoxyanilino)prop-2-enamide
CID 108839639
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
(E)-N-benzyl-2-cyano-3-(3-methoxyanilino)prop-2-enamide
CID 7459691
(4-nitrophenyl) N-[(3-methoxyphenyl)methyl]carbamate
CID 118367352

Frequently Asked Questions

What is the IUPAC name of (3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate?
The IUPAC name of (3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate (CID 88846842) is (3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for (3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate?
The canonical SMILES for (3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate is COc1ccc(CNC(=O)Oc2cccc(NC=O)c2)cc1.
What is the InChIKey of (3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate?
The InChIKey is IJGCYTXTMLKRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-14-7-5-12(6-8-14)10-17-16(20)22-15-4-2-3-13(9-15)18-11-19/h2-9,11H,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of (3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate?
(3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate has a molecular weight of 300.31 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 88846842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).