N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide

C15H22N2O2 — CID 740682

IUPACN-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide
SMILESCc1ccc(NC(=O)CCN2CCOCC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-12-3-4-14(11-13(12)2)16-15(18)5-6-17-7-9-19-10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18)
InChIKeyDWYLQTWDVDAJLV-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.96
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide

N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide (PubChem CID 740682) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide
PubChem CID740682
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide
SMILESCc1ccc(NC(=O)CCN2CCOCC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-12-3-4-14(11-13(12)2)16-15(18)5-6-17-7-9-19-10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18)
InChIKeyDWYLQTWDVDAJLV-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide (CID 740682) is N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide is Cc1ccc(NC(=O)CCN2CCOCC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide?
The InChIKey is DWYLQTWDVDAJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-3-4-14(11-13(12)2)16-15(18)5-6-17-7-9-19-10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18).
What are the key properties of N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide?
N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 740682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).