3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide

C15H22N2O3 — CID 109015917

IUPAC3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccc(NCCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-13-6-4-12(5-7-13)16-9-8-15(18)17-11-14-3-2-10-20-14/h4-7,14,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyNVPZECYHGGZODK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.79
Rot. Bonds7

About 3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide

3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 109015917) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID109015917
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccc(NCCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-13-6-4-12(5-7-13)16-9-8-15(18)17-11-14-3-2-10-20-14/h4-7,14,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyNVPZECYHGGZODK-UHFFFAOYSA-N
XLogP1.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638
3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015978
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015955
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
CID 4129063
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 109015962
3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54812361
2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54820456

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide (CID 109015917) is 3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide is COc1ccc(NCCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is NVPZECYHGGZODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-6-4-12(5-7-13)16-9-8-15(18)17-11-14-3-2-10-20-14/h4-7,14,16H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of 3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide?
3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 109015917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).