N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide

C16H26N2O — CID 119583475

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
SMILESCC(C)Cc1ccc(CC(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C16H26N2O/c1-12(2)9-14-5-7-15(8-6-14)10-16(19)18(4)13(3)11-17/h5-8,12-13H,9-11,17H2,1-4H3
InChIKeyPUFZIKVTFDKWKU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.23
Rot. Bonds6

About N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide

N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide (PubChem CID 119583475) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
PubChem CID119583475
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
SMILESCC(C)Cc1ccc(CC(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C16H26N2O/c1-12(2)9-14-5-7-15(8-6-14)10-16(19)18(4)13(3)11-17/h5-8,12-13H,9-11,17H2,1-4H3
InChIKeyPUFZIKVTFDKWKU-UHFFFAOYSA-N
XLogP2.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115733563
N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
CID 119583522
N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 119585098
N-methyl-N-(2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78853378
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115869468
N-(1-aminopropan-2-yl)-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 119584839
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55551706
2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115765069
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 119585107
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 77000986
N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide
CID 78854085

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide (CID 119583475) is N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide is CC(C)Cc1ccc(CC(=O)N(C)C(C)CN)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide?
The InChIKey is PUFZIKVTFDKWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)9-14-5-7-15(8-6-14)10-16(19)18(4)13(3)11-17/h5-8,12-13H,9-11,17H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide?
N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide is sourced from PubChem (CID 119583475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).