2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen

C14H24N2O5 — CID 177169833

IUPAC2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen
SMILESC=CC(=O)OCCOC(=O)Nc1cc(N)ccc1C.CO.[H][H].[H][H]
InChIInChI=1S/C13H16N2O4.CH4O.2H2/c1-3-12(16)18-6-7-19-13(17)15-11-8-10(14)5-4-9(11)2;1-2;;/h3-5,8H,1,6-7,14H2,2H3,(H,15,17);2H,1H3;2*1H
InChIKeyKXGSWHZGDIVTMS-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.96
Rot. Bonds5

About 2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen

2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen (PubChem CID 177169833) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen.

Molecular Properties

Compound Name2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen
PubChem CID177169833
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Name2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen
SMILESC=CC(=O)OCCOC(=O)Nc1cc(N)ccc1C.CO.[H][H].[H][H]
InChIInChI=1S/C13H16N2O4.CH4O.2H2/c1-3-12(16)18-6-7-19-13(17)15-11-8-10(14)5-4-9(11)2;1-2;;/h3-5,8H,1,6-7,14H2,2H3,(H,15,17);2H,1H3;2*1H
InChIKeyKXGSWHZGDIVTMS-UHFFFAOYSA-N
XLogP1.96
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate
CID 177169834
2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate
CID 177169829
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
2-aminoethyl N-[3-(2-aminoethoxycarbonylamino)-4-methylphenyl]carbamate;ethane;molecular hydrogen
CID 156808117
2-[[2-methyl-5-[[2-methyl-2-[4-methyl-4-(methylcarbamoyloxy)pentan-2-yl]oxypropanoyl]amino]phenyl]carbamoyloxy]ethyl prop-2-enoate
CID 177169837
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
[2-[[2-methyl-5-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]phenyl]carbamoyloxymethyl]-5-oxo-2-(prop-2-enoyloxymethyl)hept-6-enyl] prop-2-enoate
CID 155621806
ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate
CID 156746910
2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate
CID 79348702
2-(2,4-dimethylphenoxy)ethyl prop-2-enoate
CID 58160672
[2-[[3-methyl-4-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]phenyl]carbamoyloxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 90262231
N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide
CID 120569249

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen?
The IUPAC name of 2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen (CID 177169833) is 2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen.
What is the SMILES notation for 2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen?
The canonical SMILES for 2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen is C=CC(=O)OCCOC(=O)Nc1cc(N)ccc1C.CO.[H][H].[H][H].
What is the InChIKey of 2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen?
The InChIKey is KXGSWHZGDIVTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4.CH4O.2H2/c1-3-12(16)18-6-7-19-13(17)15-11-8-10(14)5-4-9(11)2;1-2;;/h3-5,8H,1,6-7,14H2,2H3,(H,15,17);2H,1H3;2*1H.
What are the key properties of 2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen?
2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen has a molecular weight of 300.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen is sourced from PubChem (CID 177169833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).