N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide

C17H24BrNO — CID 115456296

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)NCC1(CBr)CC1)c1ccccc1
InChIInChI=1S/C17H24BrNO/c1-3-13(2)15(14-7-5-4-6-8-14)16(20)19-12-17(11-18)9-10-17/h4-8,13,15H,3,9-12H2,1-2H3,(H,19,20)
InChIKeyLPEBXTPLROYTLB-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.11
Rot. Bonds7

About N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide

N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide (PubChem CID 115456296) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide
PubChem CID115456296
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)NCC1(CBr)CC1)c1ccccc1
InChIInChI=1S/C17H24BrNO/c1-3-13(2)15(14-7-5-4-6-8-14)16(20)19-12-17(11-18)9-10-17/h4-8,13,15H,3,9-12H2,1-2H3,(H,19,20)
InChIKeyLPEBXTPLROYTLB-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromobutyl)-3-methyl-2-phenylpentanamide
CID 114312530
N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide
CID 114310573
N-(3-chloro-2-methylpropyl)-3-methyl-2-phenylpentanamide
CID 114302680
N-(2-aminobutyl)-3-methyl-2-phenylpentanamide
CID 63731148
N-but-3-enyl-3-methyl-2-phenylpentanamide
CID 113466088
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylbutanamide
CID 114757941
N-[2-(2-methoxyethylamino)ethyl]-3-methyl-2-phenylpentanamide
CID 82990815
N-(1,3-dihydroxypropan-2-yl)-3-methyl-2-phenylpentanamide
CID 65315116
3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
CID 60999920
(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide
CID 167798849
(2S,3R)-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]-3-methyl-2-phenylpentanamide
CID 97025367

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide (CID 115456296) is N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide is CCC(C)C(C(=O)NCC1(CBr)CC1)c1ccccc1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide?
The InChIKey is LPEBXTPLROYTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-3-13(2)15(14-7-5-4-6-8-14)16(20)19-12-17(11-18)9-10-17/h4-8,13,15H,3,9-12H2,1-2H3,(H,19,20).
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide has a molecular weight of 338.29 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 115456296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).