3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide

C17H26N2O2 — CID 80551191

IUPAC3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
SMILESCC(C(=O)N(C)CC1CCCOC1)C(N)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-13(16(18)15-8-4-3-5-9-15)17(20)19(2)11-14-7-6-10-21-12-14/h3-5,8-9,13-14,16H,6-7,10-12,18H2,1-2H3
InChIKeyPIJOPSIYPTYWFE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.21
Rot. Bonds5

About 3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide

3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide (PubChem CID 80551191) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
PubChem CID80551191
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
SMILESCC(C(=O)N(C)CC1CCCOC1)C(N)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-13(16(18)15-8-4-3-5-9-15)17(20)19(2)11-14-7-6-10-21-12-14/h3-5,8-9,13-14,16H,6-7,10-12,18H2,1-2H3
InChIKeyPIJOPSIYPTYWFE-UHFFFAOYSA-N
XLogP2.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
CID 63713122
3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119716804
2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide
CID 63707200
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
CID 107398357
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 76951643
(2R)-2-amino-N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 63706468
2-methoxy-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 115618168
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide
CID 64567514
N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63726928

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide (CID 80551191) is 3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide is CC(C(=O)N(C)CC1CCCOC1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide?
The InChIKey is PIJOPSIYPTYWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(16(18)15-8-4-3-5-9-15)17(20)19(2)11-14-7-6-10-21-12-14/h3-5,8-9,13-14,16H,6-7,10-12,18H2,1-2H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide?
3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 80551191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).