ethane;3-(4-propan-2-ylphenyl)propanamide

C14H23NO — CID 142410323

IUPACethane;3-(4-propan-2-ylphenyl)propanamide
SMILESCC.CC(C)c1ccc(CCC(N)=O)cc1
InChIInChI=1S/C12H17NO.C2H6/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14;1-2/h3-4,6-7,9H,5,8H2,1-2H3,(H2,13,14);1-2H3
InChIKeyWCVIZPSPAUGFSB-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.25
Rot. Bonds4

About ethane;3-(4-propan-2-ylphenyl)propanamide

ethane;3-(4-propan-2-ylphenyl)propanamide (PubChem CID 142410323) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is ethane;3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Nameethane;3-(4-propan-2-ylphenyl)propanamide
PubChem CID142410323
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Nameethane;3-(4-propan-2-ylphenyl)propanamide
SMILESCC.CC(C)c1ccc(CCC(N)=O)cc1
InChIInChI=1S/C12H17NO.C2H6/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14;1-2/h3-4,6-7,9H,5,8H2,1-2H3,(H2,13,14);1-2H3
InChIKeyWCVIZPSPAUGFSB-UHFFFAOYSA-N
XLogP3.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
1-amino-4-(4-propan-2-ylphenyl)butan-2-one
CID 95439232
ethane;3-(4-methylphenyl)propanamide
CID 142510251
4-[(4-propan-2-ylphenyl)methylamino]butanamide
CID 60863561
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 115260058
1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 115168591
6-oxo-6-(4-propan-2-ylphenyl)hexanamide
CID 174637388
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 119585107
2-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
CID 171318112
N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide
CID 166591542
N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide
CID 115192179

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of ethane;3-(4-propan-2-ylphenyl)propanamide (CID 142410323) is ethane;3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for ethane;3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for ethane;3-(4-propan-2-ylphenyl)propanamide is CC.CC(C)c1ccc(CCC(N)=O)cc1.
What is the InChIKey of ethane;3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is WCVIZPSPAUGFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C2H6/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14;1-2/h3-4,6-7,9H,5,8H2,1-2H3,(H2,13,14);1-2H3.
What are the key properties of ethane;3-(4-propan-2-ylphenyl)propanamide?
ethane;3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 221.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 142410323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).