(2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate

C15H22N2O3 — CID 156899549

IUPAC(2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate
SMILESCC(C)(COc1ccccc1)OC(=O)NC/C=C/CN
InChIInChI=1S/C15H22N2O3/c1-15(2,12-19-13-8-4-3-5-9-13)20-14(18)17-11-7-6-10-16/h3-9H,10-12,16H2,1-2H3,(H,17,18)/b7-6+
InChIKeyCGAUDKPAXLNVJA-VOTSOKGWSA-N
MW278.35 g/mol
LogP2.09
Rot. Bonds7

About (2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate

(2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate (PubChem CID 156899549) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate.

Molecular Properties

Compound Name(2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate
PubChem CID156899549
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate
SMILESCC(C)(COc1ccccc1)OC(=O)NC/C=C/CN
InChIInChI=1S/C15H22N2O3/c1-15(2,12-19-13-8-4-3-5-9-13)20-14(18)17-11-7-6-10-16/h3-9H,10-12,16H2,1-2H3,(H,17,18)/b7-6+
InChIKeyCGAUDKPAXLNVJA-VOTSOKGWSA-N
XLogP2.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 18947920
benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191
[(1S)-1-phenylethyl] N-[(E)-4-aminobut-2-enyl]carbamate
CID 156899526
2,2-dimethyl-3-phenoxypropanehydrazide
CID 79626313
tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
CID 14249476
tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate
CID 169468047
4-phenoxybut-2-en-1-amine
CID 68864521
2,2-dimethyl-3-phenoxypropanoyl chloride
CID 82040727
3,3-dimethyl-4-phenoxybutan-1-amine
CID 115019571
tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate
CID 140618813
ethyl 2-chloro-2-methyl-3-phenoxypropanoate
CID 23615645
tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate
CID 169467636

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate?
The IUPAC name of (2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate (CID 156899549) is (2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate.
What is the SMILES notation for (2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate?
The canonical SMILES for (2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate is CC(C)(COc1ccccc1)OC(=O)NC/C=C/CN.
What is the InChIKey of (2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate?
The InChIKey is CGAUDKPAXLNVJA-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,12-19-13-8-4-3-5-9-13)20-14(18)17-11-7-6-10-16/h3-9H,10-12,16H2,1-2H3,(H,17,18)/b7-6+.
What are the key properties of (2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate?
(2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate is sourced from PubChem (CID 156899549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).