(2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate

C16H16N2O3 — CID 61322116

IUPAC(2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate
SMILESCc1ccc(N)cc1C(=O)OCc1ccccc1C(N)=O
InChIInChI=1S/C16H16N2O3/c1-10-6-7-12(17)8-14(10)16(20)21-9-11-4-2-3-5-13(11)15(18)19/h2-8H,9,17H2,1H3,(H2,18,19)
InChIKeyRBSLDRBTQZZZKV-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.03
Rot. Bonds4

About (2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate

(2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate (PubChem CID 61322116) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate.

Molecular Properties

Compound Name(2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate
PubChem CID61322116
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate
SMILESCc1ccc(N)cc1C(=O)OCc1ccccc1C(N)=O
InChIInChI=1S/C16H16N2O3/c1-10-6-7-12(17)8-14(10)16(20)21-9-11-4-2-3-5-13(11)15(18)19/h2-8H,9,17H2,1H3,(H2,18,19)
InChIKeyRBSLDRBTQZZZKV-UHFFFAOYSA-N
XLogP2.03
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide
CID 79141355
(2-methylphenyl)methyl 4-amino-2-chlorobenzoate
CID 61238994
(2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate
CID 61322453
5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid
CID 43379987
2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide
CID 81190861
(4-iodophenyl)methyl 5-amino-2-methylbenzoate
CID 65477126
(2-carbamoylphenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61315853
(4-methoxyphenyl)methyl 5-amino-2-methylbenzoate
CID 61310472
(2-methylphenyl)methyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297939
3-(5-amino-2-methylbenzoyl)oxypropanoic acid
CID 63950145
(5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate
CID 102878370
(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate
CID 105374630

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate?
The IUPAC name of (2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate (CID 61322116) is (2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate.
What is the SMILES notation for (2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate?
The canonical SMILES for (2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate is Cc1ccc(N)cc1C(=O)OCc1ccccc1C(N)=O.
What is the InChIKey of (2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate?
The InChIKey is RBSLDRBTQZZZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-6-7-12(17)8-14(10)16(20)21-9-11-4-2-3-5-13(11)15(18)19/h2-8H,9,17H2,1H3,(H2,18,19).
What are the key properties of (2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate?
(2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate has a molecular weight of 284.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate is sourced from PubChem (CID 61322116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).