2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone

C18H29NO2 — CID 82051566

IUPAC2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
SMILESCCCN(CCC)CC(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C18H29NO2/c1-6-10-19(11-7-2)13-17(20)16-8-9-18(15(5)12-16)21-14(3)4/h8-9,12,14H,6-7,10-11,13H2,1-5H3
InChIKeyXUNJQNPDSVLGJF-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.09
Rot. Bonds9

About 2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone

2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone (PubChem CID 82051566) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
PubChem CID82051566
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
SMILESCCCN(CCC)CC(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C18H29NO2/c1-6-10-19(11-7-2)13-17(20)16-8-9-18(15(5)12-16)21-14(3)4/h8-9,12,14H,6-7,10-11,13H2,1-5H3
InChIKeyXUNJQNPDSVLGJF-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82051544
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide
CID 110762336
methyl 3-(3-methyl-4-propan-2-yloxyphenyl)-3-oxopropanoate
CID 95461156
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone
CID 82164344
3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one
CID 82050380
2-methyl-1-(3-methyl-4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 82285504
2,2,2-trifluoro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82295021
2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone
CID 60649749
(1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 82289722
1-(3-tert-butyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82263816

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone (CID 82051566) is 2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone is CCCN(CCC)CC(=O)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of 2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone?
The InChIKey is XUNJQNPDSVLGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-10-19(11-7-2)13-17(20)16-8-9-18(15(5)12-16)21-14(3)4/h8-9,12,14H,6-7,10-11,13H2,1-5H3.
What are the key properties of 2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone?
2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone has a molecular weight of 291.44 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 82051566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).