N'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C19H29N3O — CID 87491591

IUPACN'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(/C(C)=N/OC2CCCC2)cc1C
InChIInChI=1S/C19H29N3O/c1-6-22(5)13-20-19-12-14(2)18(11-15(19)3)16(4)21-23-17-9-7-8-10-17/h11-13,17H,6-10H2,1-5H3/b20-13+,21-16+
InChIKeyRYTQEJUZENPWBU-QUIOSVDYSA-N
MW315.46 g/mol
LogP4.60
Rot. Bonds6

About N'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 87491591) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID87491591
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(/C(C)=N/OC2CCCC2)cc1C
InChIInChI=1S/C19H29N3O/c1-6-22(5)13-20-19-12-14(2)18(11-15(19)3)16(4)21-23-17-9-7-8-10-17/h11-13,17H,6-10H2,1-5H3/b20-13+,21-16+
InChIKeyRYTQEJUZENPWBU-QUIOSVDYSA-N
XLogP4.60
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 87491591) is N'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(/C(C)=N/OC2CCCC2)cc1C.
What is the InChIKey of N'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is RYTQEJUZENPWBU-QUIOSVDYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-6-22(5)13-20-19-12-14(2)18(11-15(19)3)16(4)21-23-17-9-7-8-10-17/h11-13,17H,6-10H2,1-5H3/b20-13+,21-16+.
What are the key properties of N'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 315.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(E)-N-cyclopentyloxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 87491591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).