N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide

C16H24N2O2 — CID 109016066

IUPACN-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
SMILESCc1ccc(C)c(NC(=O)CCNCC2CCCO2)c1
InChIInChI=1S/C16H24N2O2/c1-12-5-6-13(2)15(10-12)18-16(19)7-8-17-11-14-4-3-9-20-14/h5-6,10,14,17H,3-4,7-9,11H2,1-2H3,(H,18,19)
InChIKeyLCSXKBQJALUTBW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.40
Rot. Bonds6

About N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide

N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide (PubChem CID 109016066) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
PubChem CID109016066
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
SMILESCc1ccc(C)c(NC(=O)CCNCC2CCCO2)c1
InChIInChI=1S/C16H24N2O2/c1-12-5-6-13(2)15(10-12)18-16(19)7-8-17-11-14-4-3-9-20-14/h5-6,10,14,17H,3-4,7-9,11H2,1-2H3,(H,18,19)
InChIKeyLCSXKBQJALUTBW-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
N-(2,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016069
N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54807972
N-(2-chloro-4,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016092
N-(2-methoxy-5-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674247
N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016072
N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016078
3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109016102
N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016147
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762
3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide
CID 109016142

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide (CID 109016066) is N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide is Cc1ccc(C)c(NC(=O)CCNCC2CCCO2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide?
The InChIKey is LCSXKBQJALUTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-6-13(2)15(10-12)18-16(19)7-8-17-11-14-4-3-9-20-14/h5-6,10,14,17H,3-4,7-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide?
N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide is sourced from PubChem (CID 109016066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).