tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate

C15H22N2O3 — CID 169467599

IUPACtert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate
SMILESCOc1ccc(C=CCNC(=O)OC(C)(C)C)cc1N
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-9-5-6-11-7-8-13(19-4)12(16)10-11/h5-8,10H,9,16H2,1-4H3,(H,17,18)
InChIKeyCXRJIKLFTGLFFQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.82
Rot. Bonds4

About tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate

tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate (PubChem CID 169467599) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate
PubChem CID169467599
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate
SMILESCOc1ccc(C=CCNC(=O)OC(C)(C)C)cc1N
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-9-5-6-11-7-8-13(19-4)12(16)10-11/h5-8,10H,9,16H2,1-4H3,(H,17,18)
InChIKeyCXRJIKLFTGLFFQ-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-[4-(3-amino-4-methoxyphenyl)but-3-enyl]carbamate
CID 170490557
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-(3,4,5-trimethoxyphenyl)prop-2-enyl]carbamate
CID 169468365
tert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate
CID 169467584
tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate
CID 169467603
tert-butyl N-[3-[3-(hydroxymethyl)-4-methylphenyl]prop-2-enyl]carbamate
CID 169467416
tert-butyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169467841
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl (E)-3-(3-amino-4-methoxyphenyl)prop-2-enoate
CID 42640186
tert-butyl N-[3-(3-amino-6-methoxy-2-pyridinyl)prop-2-enyl]carbamate
CID 169467480
tert-butyl N-[3-(3-bromo-4-chlorophenyl)prop-2-enyl]carbamate
CID 169468558

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate (CID 169467599) is tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate is COc1ccc(C=CCNC(=O)OC(C)(C)C)cc1N.
What is the InChIKey of tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate?
The InChIKey is CXRJIKLFTGLFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-9-5-6-11-7-8-13(19-4)12(16)10-11/h5-8,10H,9,16H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(3-amino-4-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-4-methoxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).