2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide

C19H28N2O3 — CID 129426545

IUPAC2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CN(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1
InChIInChI=1S/C19H28N2O3/c1-19(2)17(15-8-9-24-18(15)19)21(3)12-16(22)20-11-13-6-5-7-14(10-13)23-4/h5-7,10,15,17-18H,8-9,11-12H2,1-4H3,(H,20,22)/t15-,17-,18-/m1/s1
InChIKeyVOFVFDBSTNGQAG-KBAYOESNSA-N
MW332.44 g/mol
LogP2.06
Rot. Bonds6

About 2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide

2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 129426545) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID129426545
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CN(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1
InChIInChI=1S/C19H28N2O3/c1-19(2)17(15-8-9-24-18(15)19)21(3)12-16(22)20-11-13-6-5-7-14(10-13)23-4/h5-7,10,15,17-18H,8-9,11-12H2,1-4H3,(H,20,22)/t15-,17-,18-/m1/s1
InChIKeyVOFVFDBSTNGQAG-KBAYOESNSA-N
XLogP2.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 129484481
2-[azetidin-3-yl(propyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide
CID 66216515
1-(cyclopentylidenemethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108913758
N-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 61028976
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
2-(1-hydroxycyclopentyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 111430199
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide (CID 129426545) is 2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CN(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1.
What is the InChIKey of 2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is VOFVFDBSTNGQAG-KBAYOESNSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2)17(15-8-9-24-18(15)19)21(3)12-16(22)20-11-13-6-5-7-14(10-13)23-4/h5-7,10,15,17-18H,8-9,11-12H2,1-4H3,(H,20,22)/t15-,17-,18-/m1/s1.
What are the key properties of 2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 129426545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).