N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide

C16H26N2O — CID 119585107

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C16H26N2O/c1-12(2)15-8-5-14(6-9-15)7-10-16(19)18(4)13(3)11-17/h5-6,8-9,12-13H,7,10-11,17H2,1-4H3
InChIKeyHJKYHSHHCSOFOZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.55
Rot. Bonds6

About N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide

N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 119585107) 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-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
PubChem CID119585107
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C16H26N2O/c1-12(2)15-8-5-14(6-9-15)7-10-16(19)18(4)13(3)11-17/h5-6,8-9,12-13H,7,10-11,17H2,1-4H3
InChIKeyHJKYHSHHCSOFOZ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride
CID 119582548
N-(1-aminopropan-2-yl)-N-methyl-3-naphthalen-2-ylpropanamide;hydrochloride
CID 119584639
N-(1-aminopropan-2-yl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119584021
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119582078
N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide
CID 119584493
N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide
CID 119582075
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846
N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119582485
1-amino-4-(4-propan-2-ylphenyl)butan-2-one
CID 95439232
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 63225839
ethane;3-(4-propan-2-ylphenyl)propanamide
CID 142410323

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide (CID 119585107) is N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(CCC(=O)N(C)C(C)CN)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is HJKYHSHHCSOFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)15-8-5-14(6-9-15)7-10-16(19)18(4)13(3)11-17/h5-6,8-9,12-13H,7,10-11,17H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide?
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.55, 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-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 119585107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).