N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide

C17H24ClNO — CID 102871982

IUPACN-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)N(CCCCl)C1CCC1)c1ccccc1
InChIInChI=1S/C17H24ClNO/c1-17(2,14-8-4-3-5-9-14)16(20)19(13-7-12-18)15-10-6-11-15/h3-5,8-9,15H,6-7,10-13H2,1-2H3
InChIKeyVEXVQPYHZFENLL-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.97
Rot. Bonds6

About N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide

N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide (PubChem CID 102871982) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide
PubChem CID102871982
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)N(CCCCl)C1CCC1)c1ccccc1
InChIInChI=1S/C17H24ClNO/c1-17(2,14-8-4-3-5-9-14)16(20)19(13-7-12-18)15-10-6-11-15/h3-5,8-9,15H,6-7,10-13H2,1-2H3
InChIKeyVEXVQPYHZFENLL-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-cyclopentyl-2-methyl-2-phenylpropanamide
CID 43136808
2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide
CID 60806254
2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid
CID 62488951
N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide
CID 102871986
2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-phenylpropanamide
CID 62489113
2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide
CID 80556057
N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide
CID 102872000
N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide
CID 102871873
N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 63394338
N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide
CID 102872589
N-(3-chloropropyl)-N-cyclobutylbutanamide
CID 102872148
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide (CID 102871982) is N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide is CC(C)(C(=O)N(CCCCl)C1CCC1)c1ccccc1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide?
The InChIKey is VEXVQPYHZFENLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-17(2,14-8-4-3-5-9-14)16(20)19(13-7-12-18)15-10-6-11-15/h3-5,8-9,15H,6-7,10-13H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide?
N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide has a molecular weight of 293.84 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 102871982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).