2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide

C15H22N2O3 — CID 106100830

IUPAC2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NCC2(O)CCOC2)cc1
InChIInChI=1S/C15H22N2O3/c1-11-3-5-13(6-4-11)17-14(18)12(2)16-9-15(19)7-8-20-10-15/h3-6,12,16,19H,7-10H2,1-2H3,(H,17,18)
InChIKeyNPKGJZQWWUJYQP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.06
Rot. Bonds5

About 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide

2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide (PubChem CID 106100830) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide
PubChem CID106100830
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NCC2(O)CCOC2)cc1
InChIInChI=1S/C15H22N2O3/c1-11-3-5-13(6-4-11)17-14(18)12(2)16-9-15(19)7-8-20-10-15/h3-6,12,16,19H,7-10H2,1-2H3,(H,17,18)
InChIKeyNPKGJZQWWUJYQP-UHFFFAOYSA-N
XLogP1.06
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide (CID 106100830) is 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)NCC2(O)CCOC2)cc1.
What is the InChIKey of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide?
The InChIKey is NPKGJZQWWUJYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-3-5-13(6-4-11)17-14(18)12(2)16-9-15(19)7-8-20-10-15/h3-6,12,16,19H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide?
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 106100830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).