N-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane

C15H26F2N2O — CID 143107944

IUPACN-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane
SMILESCC(=O)NCCCN.CCC.Cc1cc(F)cc(F)c1
InChIInChI=1S/C7H6F2.C5H12N2O.C3H8/c1-5-2-6(8)4-7(9)3-5;1-5(8)7-4-2-3-6;1-3-2/h2-4H,1H3;2-4,6H2,1H3,(H,7,8);3H2,1-2H3
InChIKeyUXFKTBHSHPOSOO-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.16
Rot. Bonds3

About N-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane

N-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane (PubChem CID 143107944) has the molecular formula C15H26F2N2O and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane.

Molecular Properties

Compound NameN-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane
PubChem CID143107944
Molecular FormulaC15H26F2N2O
Molecular Weight288.38 g/mol
Exact Mass288.20
IUPAC NameN-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane
SMILESCC(=O)NCCCN.CCC.Cc1cc(F)cc(F)c1
InChIInChI=1S/C7H6F2.C5H12N2O.C3H8/c1-5-2-6(8)4-7(9)3-5;1-5(8)7-4-2-3-6;1-3-2/h2-4H,1H3;2-4,6H2,1H3,(H,7,8);3H2,1-2H3
InChIKeyUXFKTBHSHPOSOO-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)acetamide
CID 70143
N-(1-Methyl-3-phenylpropyl)acetamide
CID 541808
N-(2-Phenylethyl)propanamide
CID 94894
N-(2-Phenylethyl)-isobutyramide
CID 290550
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
2-methyl-N-(3-phenylpropyl)propanamide
CID 2906692
Cinnamamide, N-allyl-alpha-methyl-
CID 6435635
n-(2-Phenylethyl)butanamide
CID 221995
2,2,2-Trifluoro-N-(2-phenylethyl)acetamide
CID 278884
(2E)-N-pentyl-3-phenylprop-2-enamide
CID 5385502
N-phenylethylpivalamide
CID 546250
2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 890242

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane?
The IUPAC name of N-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane (CID 143107944) is N-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane.
What is the SMILES notation for N-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane?
The canonical SMILES for N-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane is CC(=O)NCCCN.CCC.Cc1cc(F)cc(F)c1.
What is the InChIKey of N-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane?
The InChIKey is UXFKTBHSHPOSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2.C5H12N2O.C3H8/c1-5-2-6(8)4-7(9)3-5;1-5(8)7-4-2-3-6;1-3-2/h2-4H,1H3;2-4,6H2,1H3,(H,7,8);3H2,1-2H3.
What are the key properties of N-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane?
N-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane has a molecular weight of 288.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane is sourced from PubChem (CID 143107944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).