N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide

C18H29N3O2 — CID 109032404

IUPACN-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide
SMILESCCCCN(C)C(=O)CCNc1ccccc1N1CCOCC1
InChIInChI=1S/C18H29N3O2/c1-3-4-11-20(2)18(22)9-10-19-16-7-5-6-8-17(16)21-12-14-23-15-13-21/h5-8,19H,3-4,9-15H2,1-2H3
InChIKeyKFJNLGDFQLKOLG-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.58
Rot. Bonds8

About N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide

N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide (PubChem CID 109032404) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide
PubChem CID109032404
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide
SMILESCCCCN(C)C(=O)CCNc1ccccc1N1CCOCC1
InChIInChI=1S/C18H29N3O2/c1-3-4-11-20(2)18(22)9-10-19-16-7-5-6-8-17(16)21-12-14-23-15-13-21/h5-8,19H,3-4,9-15H2,1-2H3
InChIKeyKFJNLGDFQLKOLG-UHFFFAOYSA-N
XLogP2.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026104
N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527465
N-butyl-3-(2-fluoroanilino)-N-methylpropanamide
CID 109032361
N-(2-ethylphenyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109036145
N-butyl-3-(2-methoxyanilino)-N-methylpropanamide
CID 109032376
2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide
CID 113177315
N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 109161578
N-butyl-N-methyl-5-(2-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 109288305
1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine
CID 150037240
N-(2-methoxyethyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109015107
4-[3-(2-morpholin-4-ylanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017899
N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide?
The IUPAC name of N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide (CID 109032404) is N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide.
What is the SMILES notation for N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide?
The canonical SMILES for N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide is CCCCN(C)C(=O)CCNc1ccccc1N1CCOCC1.
What is the InChIKey of N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide?
The InChIKey is KFJNLGDFQLKOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-4-11-20(2)18(22)9-10-19-16-7-5-6-8-17(16)21-12-14-23-15-13-21/h5-8,19H,3-4,9-15H2,1-2H3.
What are the key properties of N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide?
N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide is sourced from PubChem (CID 109032404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).