ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate

C16H22N2O4 — CID 54480255

IUPACethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)NN=Cc1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C16H22N2O4/c1-3-21-16(19)18-17-11-12-8-9-14(20-2)15(10-12)22-13-6-4-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,19)
InChIKeyXOMKQXTYVRXAEF-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.10
Rot. Bonds6

About ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate

ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate (PubChem CID 54480255) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate
PubChem CID54480255
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nameethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)NN=Cc1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C16H22N2O4/c1-3-21-16(19)18-17-11-12-8-9-14(20-2)15(10-12)22-13-6-4-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,19)
InChIKeyXOMKQXTYVRXAEF-UHFFFAOYSA-N
XLogP3.10
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide
CID 163716487
ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 2590100
ethyl N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902975
ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate
CID 11462803
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
CID 44541745
ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902439
2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide
CID 58241283
[4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate
CID 4562133
[4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 3932542
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
ethyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]carbamate
CID 9076015
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 9120925

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate (CID 54480255) is ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate is CCOC(=O)NN=Cc1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate?
The InChIKey is XOMKQXTYVRXAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-21-16(19)18-17-11-12-8-9-14(20-2)15(10-12)22-13-6-4-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,19).
What are the key properties of ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate?
ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate has a molecular weight of 306.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 54480255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).