3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide

C17H26N2O3 — CID 109016102

IUPAC3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCNCC1CCCO1
InChIInChI=1S/C17H26N2O3/c1-13(2)22-16-8-4-3-7-15(16)19-17(20)9-10-18-12-14-6-5-11-21-14/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3,(H,19,20)
InChIKeyJDMKUPYLQYZXIM-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.57
Rot. Bonds8

About 3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide

3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 109016102) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID109016102
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCNCC1CCCO1
InChIInChI=1S/C17H26N2O3/c1-13(2)22-16-8-4-3-7-15(16)19-17(20)9-10-18-12-14-6-5-11-21-14/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3,(H,19,20)
InChIKeyJDMKUPYLQYZXIM-UHFFFAOYSA-N
XLogP2.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711
3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide
CID 109016142
2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 110422651
N-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828739
1-N-(oxolan-2-ylmethyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973334
N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
CID 2430853
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109012857
N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016066
N-(2,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016069
2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54821459

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide (CID 109016102) is 3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccccc1NC(=O)CCNCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is JDMKUPYLQYZXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(2)22-16-8-4-3-7-15(16)19-17(20)9-10-18-12-14-6-5-11-21-14/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3,(H,19,20).
What are the key properties of 3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide?
3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109016102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).