N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide

C15H20BrNO — CID 80672512

IUPACN-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC1CC(Br)C1)C(=O)CCc1ccccc1
InChIInChI=1S/C15H20BrNO/c1-17(11-13-9-14(16)10-13)15(18)8-7-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyVRCZRDQHNRKWGG-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.25
Rot. Bonds5

About N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide

N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide (PubChem CID 80672512) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide
PubChem CID80672512
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC1CC(Br)C1)C(=O)CCc1ccccc1
InChIInChI=1S/C15H20BrNO/c1-17(11-13-9-14(16)10-13)15(18)8-7-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyVRCZRDQHNRKWGG-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.25
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-bromocyclobutyl)methyl]-N-methyl-3-(2-methylphenyl)propanamide
CID 80672869
N-[(3-bromocyclobutyl)methyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 80673108
N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide
CID 80672572
N-(2-bromopropyl)-N-methyl-3-phenylpropanamide
CID 80666025
4-[3-[cyclopropylmethyl(methyl)amino]-3-oxopropyl]benzoic acid
CID 119181808
4-[3-[cyclopentylmethyl(methyl)amino]-3-oxopropyl]benzoic acid
CID 119183051
2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide
CID 114928737
N-methyl-3-phenyl-N-(3-phenylcyclobutyl)propanamide
CID 166696391
4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropyl]benzoic acid
CID 124686756
4-[3-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]-3-oxopropyl]benzoic acid
CID 124686884
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
CID 54883935
N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide
CID 94158892

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide (CID 80672512) is N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide is CN(CC1CC(Br)C1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide?
The InChIKey is VRCZRDQHNRKWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-17(11-13-9-14(16)10-13)15(18)8-7-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide?
N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide has a molecular weight of 310.23 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 80672512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).