N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide

C19H23ClN2O2 — CID 95979967

IUPACN-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide
SMILESCCN(C(=O)CCCOC)[C@H](c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C19H23ClN2O2/c1-3-22(18(23)8-6-14-24-2)19(17-7-4-5-13-21-17)15-9-11-16(20)12-10-15/h4-5,7,9-13,19H,3,6,8,14H2,1-2H3/t19-/m1/s1
InChIKeyMBFAAWRVNXVMAB-LJQANCHMSA-N
MW346.86 g/mol
LogP4.10
Rot. Bonds8

About N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide

N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide (PubChem CID 95979967) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide
PubChem CID95979967
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide
SMILESCCN(C(=O)CCCOC)[C@H](c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C19H23ClN2O2/c1-3-22(18(23)8-6-14-24-2)19(17-7-4-5-13-21-17)15-9-11-16(20)12-10-15/h4-5,7,9-13,19H,3,6,8,14H2,1-2H3/t19-/m1/s1
InChIKeyMBFAAWRVNXVMAB-LJQANCHMSA-N
XLogP4.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide (CID 95979967) is N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide is CCN(C(=O)CCCOC)[C@H](c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide?
The InChIKey is MBFAAWRVNXVMAB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-3-22(18(23)8-6-14-24-2)19(17-7-4-5-13-21-17)15-9-11-16(20)12-10-15/h4-5,7,9-13,19H,3,6,8,14H2,1-2H3/t19-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide?
N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide has a molecular weight of 346.86 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide is sourced from PubChem (CID 95979967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).