[1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate

C16H21NO5 — CID 57237577

IUPAC[1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate
SMILESC=C(NOC(=O)OC)c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C16H21NO5/c1-11(17-22-16(18)20-3)12-8-9-14(19-2)15(10-12)21-13-6-4-5-7-13/h8-10,13,17H,1,4-7H2,2-3H3
InChIKeyMOEPDIPUVMBSHX-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.27
Rot. Bonds6

About [1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate

[1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate (PubChem CID 57237577) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is [1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate.

Molecular Properties

Compound Name[1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate
PubChem CID57237577
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name[1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate
SMILESC=C(NOC(=O)OC)c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C16H21NO5/c1-11(17-22-16(18)20-3)12-8-9-14(19-2)15(10-12)21-13-6-4-5-7-13/h8-10,13,17H,1,4-7H2,2-3H3
InChIKeyMOEPDIPUVMBSHX-UHFFFAOYSA-N
XLogP3.27
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one
CID 19892499
2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone
CID 54358933
3-cyclopentyloxy-N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide
CID 175335295
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid
CID 120537921
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 120512153
3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-ethylpentanoic acid
CID 120532543

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate?
The IUPAC name of [1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate (CID 57237577) is [1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate.
What is the SMILES notation for [1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate?
The canonical SMILES for [1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate is C=C(NOC(=O)OC)c1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of [1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate?
The InChIKey is MOEPDIPUVMBSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-11(17-22-16(18)20-3)12-8-9-14(19-2)15(10-12)21-13-6-4-5-7-13/h8-10,13,17H,1,4-7H2,2-3H3.
What are the key properties of [1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate?
[1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate has a molecular weight of 307.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate is sourced from PubChem (CID 57237577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).