ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate

C13H18N2O4 — CID 10468107

IUPACethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C13H18N2O4/c1-3-19-12(17)6-7-14-13(18)15-10-5-4-9(2)8-11(10)16/h4-5,8,16H,3,6-7H2,1-2H3,(H2,14,15,18)
InChIKeyFOVRBHZLPBNNTM-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.78
Rot. Bonds5

About ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate

ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate (PubChem CID 10468107) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate
PubChem CID10468107
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C13H18N2O4/c1-3-19-12(17)6-7-14-13(18)15-10-5-4-9(2)8-11(10)16/h4-5,8,16H,3,6-7H2,1-2H3,(H2,14,15,18)
InChIKeyFOVRBHZLPBNNTM-UHFFFAOYSA-N
XLogP1.78
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate
CID 10334217
1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899779
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108881813
ethyl 3-[(3,5-dichloro-4-hydroxyphenyl)carbamoylamino]propanoate
CID 69010613
ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate
CID 108813860
1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea
CID 108895054
(2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide
CID 97315329
1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868237
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
2-ethyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 1234613
ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 78916962
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate?
The IUPAC name of ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate (CID 10468107) is ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate.
What is the SMILES notation for ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate?
The canonical SMILES for ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate is CCOC(=O)CCNC(=O)Nc1ccc(C)cc1O.
What is the InChIKey of ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate?
The InChIKey is FOVRBHZLPBNNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-19-12(17)6-7-14-13(18)15-10-5-4-9(2)8-11(10)16/h4-5,8,16H,3,6-7H2,1-2H3,(H2,14,15,18).
What are the key properties of ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate?
ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate has a molecular weight of 266.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 10468107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).