ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate

C16H23NO4 — CID 156746910

IUPACethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)Nc1ccc(CC)cc1.CC
InChIInChI=1S/C14H17NO4.C2H6/c1-3-11-5-7-12(8-6-11)15-14(17)19-10-9-18-13(16)4-2;1-2/h4-8H,2-3,9-10H2,1H3,(H,15,17);1-2H3
InChIKeyLMSUPPVAPDQONC-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.55
Rot. Bonds6

About ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate

ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate (PubChem CID 156746910) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate.

Molecular Properties

Compound Nameethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate
PubChem CID156746910
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)Nc1ccc(CC)cc1.CC
InChIInChI=1S/C14H17NO4.C2H6/c1-3-11-5-7-12(8-6-11)15-14(17)19-10-9-18-13(16)4-2;1-2/h4-8H,2-3,9-10H2,1H3,(H,15,17);1-2H3
InChIKeyLMSUPPVAPDQONC-UHFFFAOYSA-N
XLogP3.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 155719005
2-acetamidoethyl N-(4-ethylphenyl)carbamate
CID 59778470
2-hydroxy-5-(2-prop-2-enoyloxyethoxycarbonylamino)benzoic acid
CID 59042097
2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate
CID 177169829
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(ethoxycarbonylamino)benzoate
CID 118216346
[4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate
CID 134513469
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
2-[4-(diethylamino)phenyl]ethyl prop-2-enoate
CID 68773183
prop-2-enyl N-[4-[[4-(prop-2-enoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 3455881
(4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid
CID 146245379
2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate
CID 177169834
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate?
The IUPAC name of ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate (CID 156746910) is ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate.
What is the SMILES notation for ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate?
The canonical SMILES for ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate is C=CC(=O)OCCOC(=O)Nc1ccc(CC)cc1.CC.
What is the InChIKey of ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate?
The InChIKey is LMSUPPVAPDQONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4.C2H6/c1-3-11-5-7-12(8-6-11)15-14(17)19-10-9-18-13(16)4-2;1-2/h4-8H,2-3,9-10H2,1H3,(H,15,17);1-2H3.
What are the key properties of ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate?
ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate has a molecular weight of 293.36 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate is sourced from PubChem (CID 156746910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).