N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide

C24H31N3O3 — CID 18832841

IUPACN,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCOCCN(CCOC)C(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(C)cc12
InChIInChI=1S/C24H31N3O3/c1-18-10-11-21-20(17-18)19(24(26-21)22-8-4-5-12-25-22)7-6-9-23(28)27(13-15-29-2)14-16-30-3/h4-5,8,10-12,17,26H,6-7,9,13-16H2,1-3H3
InChIKeyZKRUZOXRYWKQDO-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.98
Rot. Bonds11

About N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide

N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18832841) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18832841
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCOCCN(CCOC)C(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(C)cc12
InChIInChI=1S/C24H31N3O3/c1-18-10-11-21-20(17-18)19(24(26-21)22-8-4-5-12-25-22)7-6-9-23(28)27(13-15-29-2)14-16-30-3/h4-5,8,10-12,17,26H,6-7,9,13-16H2,1-3H3
InChIKeyZKRUZOXRYWKQDO-UHFFFAOYSA-N
XLogP3.98
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18832841) is N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is COCCN(CCOC)C(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(C)cc12.
What is the InChIKey of N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is ZKRUZOXRYWKQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18-10-11-21-20(17-18)19(24(26-21)22-8-4-5-12-25-22)7-6-9-23(28)27(13-15-29-2)14-16-30-3/h4-5,8,10-12,17,26H,6-7,9,13-16H2,1-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 409.53 g/mol, XLogP of 3.98, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18832841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).