3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one

C18H29NO2 — CID 63193802

IUPAC3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
SMILESCCC(C)N(CCOC)CC(C)(C)C(=O)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-6-15(2)19(12-13-21-5)14-18(3,4)17(20)16-10-8-7-9-11-16/h7-11,15H,6,12-14H2,1-5H3
InChIKeyFCDKGCVLQGPKES-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.64
Rot. Bonds9

About 3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one

3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one (PubChem CID 63193802) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
PubChem CID63193802
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
SMILESCCC(C)N(CCOC)CC(C)(C)C(=O)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-6-15(2)19(12-13-21-5)14-18(3,4)17(20)16-10-8-7-9-11-16/h7-11,15H,6,12-14H2,1-5H3
InChIKeyFCDKGCVLQGPKES-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193751
4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid
CID 65247850
2-[2-methoxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 82952096
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193750
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride
CID 21116615
2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 54999936
2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one
CID 63195859
N-(2-methoxyethyl)-N-(2-phenylsulfanylethyl)butan-2-amine
CID 78993247
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3-fluorobenzoic acid
CID 63075063
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3-chlorobenzoic acid
CID 102669914
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-phenylpropane-1,2-diamine
CID 62488443
2-[4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenyl]acetic acid
CID 105345880

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one?
The IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one (CID 63193802) is 3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one?
The canonical SMILES for 3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one is CCC(C)N(CCOC)CC(C)(C)C(=O)c1ccccc1.
What is the InChIKey of 3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one?
The InChIKey is FCDKGCVLQGPKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-15(2)19(12-13-21-5)14-18(3,4)17(20)16-10-8-7-9-11-16/h7-11,15H,6,12-14H2,1-5H3.
What are the key properties of 3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one?
3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one has a molecular weight of 291.44 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one is sourced from PubChem (CID 63193802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).