1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one

C18H29NO2 — CID 82101006

IUPAC1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one
SMILESCOc1ccccc1C(=O)C(C)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H29NO2/c1-13(19-18(5,6)12-17(2,3)4)16(20)14-10-8-9-11-15(14)21-7/h8-11,13,19H,12H2,1-7H3
InChIKeyKZRTUCQOVANHQS-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.07
Rot. Bonds6

About 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one

1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one (PubChem CID 82101006) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one
PubChem CID82101006
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one
SMILESCOc1ccccc1C(=O)C(C)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H29NO2/c1-13(19-18(5,6)12-17(2,3)4)16(20)14-10-8-9-11-15(14)21-7/h8-11,13,19H,12H2,1-7H3
InChIKeyKZRTUCQOVANHQS-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
CID 82102169
tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091076
N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 43731154
2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one
CID 82100962
1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one
CID 82100978
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
2-(2-methoxybenzoyl)-3-methylbutanoic acid
CID 116922978
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide
CID 114308173

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one?
The IUPAC name of 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one (CID 82101006) is 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one is COc1ccccc1C(=O)C(C)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one?
The InChIKey is KZRTUCQOVANHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(19-18(5,6)12-17(2,3)4)16(20)14-10-8-9-11-15(14)21-7/h8-11,13,19H,12H2,1-7H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one?
1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one has a molecular weight of 291.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one is sourced from PubChem (CID 82101006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).