(4-carbamoylphenyl)methyl 2-(methylamino)benzoate

C16H16N2O3 — CID 18136279

IUPAC(4-carbamoylphenyl)methyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H16N2O3/c1-18-14-5-3-2-4-13(14)16(20)21-10-11-6-8-12(9-7-11)15(17)19/h2-9,18H,10H2,1H3,(H2,17,19)
InChIKeyKSZTUTGIEVERET-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.18
Rot. Bonds5

About (4-carbamoylphenyl)methyl 2-(methylamino)benzoate

(4-carbamoylphenyl)methyl 2-(methylamino)benzoate (PubChem CID 18136279) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (4-carbamoylphenyl)methyl 2-(methylamino)benzoate.

Molecular Properties

Compound Name(4-carbamoylphenyl)methyl 2-(methylamino)benzoate
PubChem CID18136279
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(4-carbamoylphenyl)methyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H16N2O3/c1-18-14-5-3-2-4-13(14)16(20)21-10-11-6-8-12(9-7-11)15(17)19/h2-9,18H,10H2,1H3,(H2,17,19)
InChIKeyKSZTUTGIEVERET-UHFFFAOYSA-N
XLogP2.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-carbamoylphenyl)methyl 2-benzamidobenzoate
CID 17410103
(4-carbamoylphenyl)methyl 3-amino-2-methylbenzoate
CID 61321139
(4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate
CID 27910928
(4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 26962039
(2-chlorophenyl)methyl 2-(methylamino)benzoate
CID 895057
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7670970
phosphanyl 2-(methylamino)benzoate
CID 174258583
2-iodoethyl 2-(methylamino)benzoate
CID 25050917
2-oxoethyl 2-(methylamino)benzoate
CID 143044559
benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate
CID 19104093
(4-iodophenyl)methyl 2-benzamidobenzoate
CID 4601230
benzyl 2-[(2-cyanoacetyl)amino]benzoate
CID 168523295

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl)methyl 2-(methylamino)benzoate?
The IUPAC name of (4-carbamoylphenyl)methyl 2-(methylamino)benzoate (CID 18136279) is (4-carbamoylphenyl)methyl 2-(methylamino)benzoate.
What is the SMILES notation for (4-carbamoylphenyl)methyl 2-(methylamino)benzoate?
The canonical SMILES for (4-carbamoylphenyl)methyl 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCc1ccc(C(N)=O)cc1.
What is the InChIKey of (4-carbamoylphenyl)methyl 2-(methylamino)benzoate?
The InChIKey is KSZTUTGIEVERET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-18-14-5-3-2-4-13(14)16(20)21-10-11-6-8-12(9-7-11)15(17)19/h2-9,18H,10H2,1H3,(H2,17,19).
What are the key properties of (4-carbamoylphenyl)methyl 2-(methylamino)benzoate?
(4-carbamoylphenyl)methyl 2-(methylamino)benzoate has a molecular weight of 284.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl)methyl 2-(methylamino)benzoate is sourced from PubChem (CID 18136279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).