N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide

C15H23ClN2O2 — CID 66234466

IUPACN-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide
SMILESCC(C)(C)CCOCCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H23ClN2O2/c1-15(2,3)7-9-20-8-6-14(19)18-11-4-5-12(16)13(17)10-11/h4-5,10H,6-9,17H2,1-3H3,(H,18,19)
InChIKeyCCAHYGGNRKBDRA-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.70
Rot. Bonds6

About N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide

N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide (PubChem CID 66234466) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide
PubChem CID66234466
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide
SMILESCC(C)(C)CCOCCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H23ClN2O2/c1-15(2,3)7-9-20-8-6-14(19)18-11-4-5-12(16)13(17)10-11/h4-5,10H,6-9,17H2,1-3H3,(H,18,19)
InChIKeyCCAHYGGNRKBDRA-UHFFFAOYSA-N
XLogP3.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63686148
N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
CID 43274939
N-(3-amino-4-ethylphenyl)-3-propoxypropanamide
CID 62688579
N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide
CID 82955993
N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66231993
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide
CID 29046897
N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide
CID 28531859
N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide
CID 66232216
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
N-(3-amino-4-chlorophenyl)-3-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107753655
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide (CID 66234466) is N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide is CC(C)(C)CCOCCC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide?
The InChIKey is CCAHYGGNRKBDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-15(2,3)7-9-20-8-6-14(19)18-11-4-5-12(16)13(17)10-11/h4-5,10H,6-9,17H2,1-3H3,(H,18,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide?
N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide has a molecular weight of 298.81 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide is sourced from PubChem (CID 66234466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).