phenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate

C23H32N2O3 — CID 139808372

IUPACphenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate
SMILESCCc1cc(CCCCCCCNC(=O)Oc2ccccc2)c(OC)nc1C
InChIInChI=1S/C23H32N2O3/c1-4-19-17-20(22(27-3)25-18(19)2)13-9-6-5-7-12-16-24-23(26)28-21-14-10-8-11-15-21/h8,10-11,14-15,17H,4-7,9,12-13,16H2,1-3H3,(H,24,26)
InChIKeyUILUXWJQWKBIOP-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.24
Rot. Bonds11

About phenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate

phenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate (PubChem CID 139808372) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is phenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate.

Molecular Properties

Compound Namephenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate
PubChem CID139808372
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Namephenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate
SMILESCCc1cc(CCCCCCCNC(=O)Oc2ccccc2)c(OC)nc1C
InChIInChI=1S/C23H32N2O3/c1-4-19-17-20(22(27-3)25-18(19)2)13-9-6-5-7-12-16-24-23(26)28-21-14-10-8-11-15-21/h8,10-11,14-15,17H,4-7,9,12-13,16H2,1-3H3,(H,24,26)
InChIKeyUILUXWJQWKBIOP-UHFFFAOYSA-N
XLogP5.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze phenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-(2-ethoxy-5-ethyl-6-methyl-3-pyridinyl)carbamate
CID 18663163
phenyl N-(4-methoxybutyl)carbamate
CID 61073944
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
[2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid
CID 67666328
phenyl N-(3-bromopropyl)carbamate
CID 142499000
phenyl N-[2-(ethylamino)ethyl]carbamate
CID 62663322
(4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate
CID 67180754
phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate
CID 19357047
phenyl N-hex-5-ynylcarbamate
CID 103758023
phenyl N-(2-phenylethyl)carbamate
CID 12632743
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043

Frequently Asked Questions

What is the IUPAC name of phenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate?
The IUPAC name of phenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate (CID 139808372) is phenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate.
What is the SMILES notation for phenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate?
The canonical SMILES for phenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate is CCc1cc(CCCCCCCNC(=O)Oc2ccccc2)c(OC)nc1C.
What is the InChIKey of phenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate?
The InChIKey is UILUXWJQWKBIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-4-19-17-20(22(27-3)25-18(19)2)13-9-6-5-7-12-16-24-23(26)28-21-14-10-8-11-15-21/h8,10-11,14-15,17H,4-7,9,12-13,16H2,1-3H3,(H,24,26).
What are the key properties of phenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate?
phenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate has a molecular weight of 384.52 g/mol, XLogP of 5.24, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate is sourced from PubChem (CID 139808372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).