2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide

C18H28N2O3 — CID 60507252

IUPAC2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccccc1OCCCN(C)CC(=O)NCC1CCCO1
InChIInChI=1S/C18H28N2O3/c1-15-7-3-4-9-17(15)23-12-6-10-20(2)14-18(21)19-13-16-8-5-11-22-16/h3-4,7,9,16H,5-6,8,10-14H2,1-2H3,(H,19,21)
InChIKeyOOWXGNQHYVOJJU-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.99
Rot. Bonds9

About 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide

2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 60507252) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID60507252
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccccc1OCCCN(C)CC(=O)NCC1CCCO1
InChIInChI=1S/C18H28N2O3/c1-15-7-3-4-9-17(15)23-12-6-10-20(2)14-18(21)19-13-16-8-5-11-22-16/h3-4,7,9,16H,5-6,8,10-14H2,1-2H3,(H,19,21)
InChIKeyOOWXGNQHYVOJJU-UHFFFAOYSA-N
XLogP1.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78818567
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
3-(2-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 51077938
3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94087930
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78793510
2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167272
4-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 2862808
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95304590
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165954
N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943680
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174207

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide (CID 60507252) is 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide is Cc1ccccc1OCCCN(C)CC(=O)NCC1CCCO1.
What is the InChIKey of 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is OOWXGNQHYVOJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-15-7-3-4-9-17(15)23-12-6-10-20(2)14-18(21)19-13-16-8-5-11-22-16/h3-4,7,9,16H,5-6,8,10-14H2,1-2H3,(H,19,21).
What are the key properties of 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 320.43 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 60507252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).