tert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate

C15H22N2O3 — CID 169467584

IUPACtert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate
SMILESCOc1cc(N)cc(C=CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-7-5-6-11-8-12(16)10-13(9-11)19-4/h5-6,8-10H,7,16H2,1-4H3,(H,17,18)
InChIKeyFICLYOWNIPRCAX-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.82
Rot. Bonds4

About tert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate

tert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate (PubChem CID 169467584) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate
PubChem CID169467584
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate
SMILESCOc1cc(N)cc(C=CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-7-5-6-11-8-12(16)10-13(9-11)19-4/h5-6,8-10H,7,16H2,1-4H3,(H,17,18)
InChIKeyFICLYOWNIPRCAX-UHFFFAOYSA-N
XLogP2.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169467599
tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169467818
tert-butyl N-[3-(3,4,5-trimethoxyphenyl)prop-2-enyl]carbamate
CID 169468365
tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate
CID 169467402
tert-butyl N-[3-(4-amino-3-chlorophenyl)prop-2-enyl]carbamate
CID 169467176
tert-butyl N-[3-(3-chloro-5-formylphenyl)prop-2-enyl]carbamate
CID 169467394
tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate
CID 169467603
tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467247
tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate
CID 169468047
tert-butyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169467841
3-bromo-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoic acid
CID 169468607
tert-butyl N-[3-[3-fluoro-5-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467398

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate (CID 169467584) is tert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate is COc1cc(N)cc(C=CCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate?
The InChIKey is FICLYOWNIPRCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-7-5-6-11-8-12(16)10-13(9-11)19-4/h5-6,8-10H,7,16H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).