4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide

C21H29N3O3 — CID 56500245

IUPAC4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide
SMILESCCCCN(CC)c1ccc(C(=O)Nc2cccnc2OCCOC)cc1
InChIInChI=1S/C21H29N3O3/c1-4-6-14-24(5-2)18-11-9-17(10-12-18)20(25)23-19-8-7-13-22-21(19)27-16-15-26-3/h7-13H,4-6,14-16H2,1-3H3,(H,23,25)
InChIKeyBMVPGSKTZNRVSL-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.99
Rot. Bonds11

About 4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide

4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide (PubChem CID 56500245) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide
PubChem CID56500245
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide
SMILESCCCCN(CC)c1ccc(C(=O)Nc2cccnc2OCCOC)cc1
InChIInChI=1S/C21H29N3O3/c1-4-6-14-24(5-2)18-11-9-17(10-12-18)20(25)23-19-8-7-13-22-21(19)27-16-15-26-3/h7-13H,4-6,14-16H2,1-3H3,(H,23,25)
InChIKeyBMVPGSKTZNRVSL-UHFFFAOYSA-N
XLogP3.99
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide
CID 56500125
4-(diethylamino)-N-quinolin-5-ylbenzamide
CID 112767915
2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid
CID 126837218
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191
6-(dimethylamino)-N-(2-ethoxy-3-pyridinyl)pyridine-3-carboxamide
CID 34955483
N-(2-ethoxy-3-pyridinyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 55678774
4-butoxy-N-quinolin-5-ylbenzamide
CID 3982301
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
1-[4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
CID 61446564
N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide
CID 120505281

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide?
The IUPAC name of 4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide (CID 56500245) is 4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide is CCCCN(CC)c1ccc(C(=O)Nc2cccnc2OCCOC)cc1.
What is the InChIKey of 4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide?
The InChIKey is BMVPGSKTZNRVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-4-6-14-24(5-2)18-11-9-17(10-12-18)20(25)23-19-8-7-13-22-21(19)27-16-15-26-3/h7-13H,4-6,14-16H2,1-3H3,(H,23,25).
What are the key properties of 4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide?
4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide has a molecular weight of 371.48 g/mol, XLogP of 3.99, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)amino]-N-[2-(2-methoxyethoxy)-3-pyridinyl]benzamide is sourced from PubChem (CID 56500245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).