2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate

C11H14N2O5 — CID 83203383

IUPAC2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate
SMILESCOc1cccc(C(=O)NCCOC(N)=O)c1O
InChIInChI=1S/C11H14N2O5/c1-17-8-4-2-3-7(9(8)14)10(15)13-5-6-18-11(12)16/h2-4,14H,5-6H2,1H3,(H2,12,16)(H,13,15)
InChIKeyFJYNVICEZFKOOA-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.23
Rot. Bonds5

About 2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate

2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate (PubChem CID 83203383) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate
PubChem CID83203383
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate
SMILESCOc1cccc(C(=O)NCCOC(N)=O)c1O
InChIInChI=1S/C11H14N2O5/c1-17-8-4-2-3-7(9(8)14)10(15)13-5-6-18-11(12)16/h2-4,14H,5-6H2,1H3,(H2,12,16)(H,13,15)
InChIKeyFJYNVICEZFKOOA-UHFFFAOYSA-N
XLogP0.23
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
2-hydroxy-N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 43420679
2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate
CID 83210686
2-hydroxy-4-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 114006239
(2S)-2-hydroxy-4-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 114006576
2-hydroxy-3-methoxy-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 61149422
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 115670745
2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 65109444
N-[2-[4-(cyanomethyl)phenoxy]ethyl]-2-hydroxy-3-methoxybenzamide
CID 166230623
N-(2-ethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 115613558

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate (CID 83203383) is 2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate is COc1cccc(C(=O)NCCOC(N)=O)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate?
The InChIKey is FJYNVICEZFKOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-17-8-4-2-3-7(9(8)14)10(15)13-5-6-18-11(12)16/h2-4,14H,5-6H2,1H3,(H2,12,16)(H,13,15).
What are the key properties of 2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate?
2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate has a molecular weight of 254.24 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate is sourced from PubChem (CID 83203383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).