2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide

C16H27N3O2 — CID 28596145

IUPAC2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
SMILESCOc1cccc([C@H](CNCC(=O)NC(C)C)N(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-12(2)18-16(20)11-17-10-15(19(3)4)13-7-6-8-14(9-13)21-5/h6-9,12,15,17H,10-11H2,1-5H3,(H,18,20)/t15-/m0/s1
InChIKeyMCDIFBWQRPZJFQ-HNNXBMFYSA-N
MW293.41 g/mol
LogP1.41
Rot. Bonds8

About 2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide

2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide (PubChem CID 28596145) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
PubChem CID28596145
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
SMILESCOc1cccc([C@H](CNCC(=O)NC(C)C)N(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-12(2)18-16(20)11-17-10-15(19(3)4)13-7-6-8-14(9-13)21-5/h6-9,12,15,17H,10-11H2,1-5H3,(H,18,20)/t15-/m0/s1
InChIKeyMCDIFBWQRPZJFQ-HNNXBMFYSA-N
XLogP1.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 43398367
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]propanoate
CID 43093101
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 65458499
3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid
CID 79621335
2-cyclopentyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51186688
N'-(2,2-dimethoxyethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 63686447
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243
2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid
CID 43445772

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide (CID 28596145) is 2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide is COc1cccc([C@H](CNCC(=O)NC(C)C)N(C)C)c1.
What is the InChIKey of 2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide?
The InChIKey is MCDIFBWQRPZJFQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)18-16(20)11-17-10-15(19(3)4)13-7-6-8-14(9-13)21-5/h6-9,12,15,17H,10-11H2,1-5H3,(H,18,20)/t15-/m0/s1.
What are the key properties of 2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide?
2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 293.41 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 28596145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).