N-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide

C15H24N2O — CID 28768117

IUPACN-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCCC(=O)N(CCCN)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-15(18)17(11-5-10-16)14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11,16H2,1-3H3
InChIKeyHBLLRZMQCIJNHS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.90
Rot. Bonds6

About N-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide

N-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 28768117) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID28768117
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCCC(=O)N(CCCN)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-15(18)17(11-5-10-16)14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11,16H2,1-3H3
InChIKeyHBLLRZMQCIJNHS-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide
CID 28770124
N-(4-aminobutyl)-N-[4-(2-methylpropyl)phenyl]propanamide
CID 19018999
2-chloro-N-(4-propan-2-ylphenyl)-N-propylacetamide
CID 53416887
N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 122692683
7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide
CID 119807713
1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea
CID 79154007
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide
CID 28767388
N-phenyl-N-(3-phenylpropyl)propanamide
CID 178077722
N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide
CID 43135948
1-(3-aminopropyl)-3-ethyl-1-(4-methoxyphenyl)-3-methylurea
CID 79160191
N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide
CID 104517075

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide (CID 28768117) is N-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide is CCC(=O)N(CCCN)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is HBLLRZMQCIJNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-15(18)17(11-5-10-16)14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11,16H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide?
N-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 28768117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).