tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate

C15H20N2O4 — CID 137320522

IUPACtert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate
SMILESC=CCOc1ccccc1C(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C15H20N2O4/c1-5-10-20-12-9-7-6-8-11(12)13(18)16-17-14(19)21-15(2,3)4/h5-9H,1,10H2,2-4H3,(H,16,18)(H,17,19)
InChIKeyYKIYTMJNCISEEW-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.42
Rot. Bonds4

About tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate

tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate (PubChem CID 137320522) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate
PubChem CID137320522
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nametert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate
SMILESC=CCOc1ccccc1C(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C15H20N2O4/c1-5-10-20-12-9-7-6-8-11(12)13(18)16-17-14(19)21-15(2,3)4/h5-9H,1,10H2,2-4H3,(H,16,18)(H,17,19)
InChIKeyYKIYTMJNCISEEW-UHFFFAOYSA-N
XLogP2.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929142
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
tert-butyl N-[(2-prop-2-enoxyphenyl)methylamino]carbamate
CID 107236651
2,2-dimethyl-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]propanamide
CID 4929555
N'-hexanoyl-2-prop-2-enoxybenzohydrazide
CID 4953986
N'-heptanoyl-2-prop-2-enoxybenzohydrazide
CID 54789258
N'-(cyclopropanecarbonyl)-2-prop-2-enoxybenzohydrazide
CID 4929134
tert-butyl N-[(2-methylbenzoyl)amino]carbamate
CID 2218283
3,5-dichloro-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17133664
N'-[2-(4-methoxyphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929179
ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate
CID 4929104

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate (CID 137320522) is tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate is C=CCOc1ccccc1C(=O)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate?
The InChIKey is YKIYTMJNCISEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-5-10-20-12-9-7-6-8-11(12)13(18)16-17-14(19)21-15(2,3)4/h5-9H,1,10H2,2-4H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate?
tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate has a molecular weight of 292.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate is sourced from PubChem (CID 137320522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).