3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide

C17H26N2O2 — CID 131894261

IUPAC3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN(C)CC1(C)COC1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-14(15-7-5-4-6-8-15)18-16(20)9-10-19(3)11-17(2)12-21-13-17/h4-8,14H,9-13H2,1-3H3,(H,18,20)
InChIKeyJFNQVQNSRKZRNH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.22
Rot. Bonds7

About 3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide

3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide (PubChem CID 131894261) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide
PubChem CID131894261
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN(C)CC1(C)COC1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-14(15-7-5-4-6-8-15)18-16(20)9-10-19(3)11-17(2)12-21-13-17/h4-8,14H,9-13H2,1-3H3,(H,18,20)
InChIKeyJFNQVQNSRKZRNH-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 10104501
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CID 285516
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CID 222023
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CID 735802
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CID 4437021
CID 4437021
CID 4786488
CID 4786488
CID 23724300
CID 23724300
CID 71571201
CID 71571201
CID 126648780
CID 126648780
CID 132016672
CID 132016672
CID 135341830
CID 135341830
CID 5074234
CID 5074234

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide (CID 131894261) is 3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide is CC(NC(=O)CCN(C)CC1(C)COC1)c1ccccc1.
What is the InChIKey of 3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide?
The InChIKey is JFNQVQNSRKZRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(15-7-5-4-6-8-15)18-16(20)9-10-19(3)11-17(2)12-21-13-17/h4-8,14H,9-13H2,1-3H3,(H,18,20).
What are the key properties of 3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide?
3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 131894261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).