3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one

C18H23NOS — CID 70926284

IUPAC3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one
SMILESCc1csc(C(=O)CCNC(C)(C)Cc2ccccc2)c1
InChIInChI=1S/C18H23NOS/c1-14-11-17(21-13-14)16(20)9-10-19-18(2,3)12-15-7-5-4-6-8-15/h4-8,11,13,19H,9-10,12H2,1-3H3
InChIKeyLQDDPBUWBOJBLQ-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.24
Rot. Bonds7

About 3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one

3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one (PubChem CID 70926284) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one
PubChem CID70926284
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one
SMILESCc1csc(C(=O)CCNC(C)(C)Cc2ccccc2)c1
InChIInChI=1S/C18H23NOS/c1-14-11-17(21-13-14)16(20)9-10-19-18(2,3)12-15-7-5-4-6-8-15/h4-8,11,13,19H,9-10,12H2,1-3H3
InChIKeyLQDDPBUWBOJBLQ-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol
CID 110174091
3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]butanoic acid
CID 114264140
N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine
CID 19865267
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine;hydrochloride
CID 174782012
bis(2-methyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine);oxalate
CID 21152509
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353
3-[[2-methyl-1-(3-methylphenyl)propan-2-yl]amino]propane-1-sulfonic acid
CID 59771461
2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100702626
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)butanamide
CID 100576345
5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid
CID 113360552
2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone
CID 130767597

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one?
The IUPAC name of 3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one (CID 70926284) is 3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one.
What is the SMILES notation for 3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one?
The canonical SMILES for 3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one is Cc1csc(C(=O)CCNC(C)(C)Cc2ccccc2)c1.
What is the InChIKey of 3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one?
The InChIKey is LQDDPBUWBOJBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-14-11-17(21-13-14)16(20)9-10-19-18(2,3)12-15-7-5-4-6-8-15/h4-8,11,13,19H,9-10,12H2,1-3H3.
What are the key properties of 3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one?
3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one has a molecular weight of 301.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1-phenylpropan-2-yl)amino]-1-(4-methylthiophen-2-yl)propan-1-one is sourced from PubChem (CID 70926284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).