tert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate

C16H26N2O3 — CID 66759156

IUPACtert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate
SMILESCOC1=CC=C(N)CC1=CN(C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)18(15(19)21-16(3,4)5)10-12-9-13(17)7-8-14(12)20-6/h7-8,10-11H,9,17H2,1-6H3
InChIKeyUVAYJIFCKBONKI-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.29
Rot. Bonds3

About tert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate

tert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate (PubChem CID 66759156) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate
PubChem CID66759156
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nametert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate
SMILESCOC1=CC=C(N)CC1=CN(C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)18(15(19)21-16(3,4)5)10-12-9-13(17)7-8-14(12)20-6/h7-8,10-11H,9,17H2,1-6H3
InChIKeyUVAYJIFCKBONKI-UHFFFAOYSA-N
XLogP3.29
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate with MolForge

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Related Compounds

tert-butyl N-ethenyl-N-propan-2-ylcarbamate
CID 88918328
methyl (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 75487938
methyl (2S,3R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 169042630
methyl (2S,3S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoate
CID 57327500
tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 23506958
tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
CID 124608391
tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate
CID 105468762
tert-butyl N-(5-amino-3-pyridinyl)-N-propan-2-ylcarbamate
CID 53338914
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate
CID 142224208
methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoate
CID 141040791
tert-butyl N-methyl-N-(5-methyl-3-oxohex-4-en-2-yl)carbamate
CID 163994359
tert-butyl N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-N-methylcarbamate
CID 87312675

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate (CID 66759156) is tert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate is COC1=CC=C(N)CC1=CN(C(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate?
The InChIKey is UVAYJIFCKBONKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)18(15(19)21-16(3,4)5)10-12-9-13(17)7-8-14(12)20-6/h7-8,10-11H,9,17H2,1-6H3.
What are the key properties of tert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate has a molecular weight of 294.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-amino-2-methoxycyclohexa-2,4-dien-1-ylidene)methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 66759156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).