N-(2-bromoethyl)-4-phenyl-N-propylbutanamide

C15H22BrNO — CID 80660803

IUPACN-(2-bromoethyl)-4-phenyl-N-propylbutanamide
SMILESCCCN(CCBr)C(=O)CCCc1ccccc1
InChIInChI=1S/C15H22BrNO/c1-2-12-17(13-11-16)15(18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3
InChIKeyUAGGLAGZBMPGNB-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.64
Rot. Bonds8

About N-(2-bromoethyl)-4-phenyl-N-propylbutanamide

N-(2-bromoethyl)-4-phenyl-N-propylbutanamide (PubChem CID 80660803) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(2-bromoethyl)-4-phenyl-N-propylbutanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-4-phenyl-N-propylbutanamide
PubChem CID80660803
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-(2-bromoethyl)-4-phenyl-N-propylbutanamide
SMILESCCCN(CCBr)C(=O)CCCc1ccccc1
InChIInChI=1S/C15H22BrNO/c1-2-12-17(13-11-16)15(18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3
InChIKeyUAGGLAGZBMPGNB-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.64
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-(2-bromoethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 80661193
N-(2-bromoethyl)-4-phenyl-N-propan-2-ylbutanamide
CID 80665156
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
4-(4-fluorophenyl)-N,N-dipropylbutanamide
CID 110297678
3-(2-phenylethylamino)-N,N-dipropylpropanamide
CID 109024274
N,N-dihexyl-3-phenylpropanamide
CID 532921
3-[4-(4-methylphenyl)butanoyl-propylamino]propanoic acid
CID 82326079
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
4-amino-N-benzyl-N-propylbutanamide
CID 43588666

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-4-phenyl-N-propylbutanamide?
The IUPAC name of N-(2-bromoethyl)-4-phenyl-N-propylbutanamide (CID 80660803) is N-(2-bromoethyl)-4-phenyl-N-propylbutanamide.
What is the SMILES notation for N-(2-bromoethyl)-4-phenyl-N-propylbutanamide?
The canonical SMILES for N-(2-bromoethyl)-4-phenyl-N-propylbutanamide is CCCN(CCBr)C(=O)CCCc1ccccc1.
What is the InChIKey of N-(2-bromoethyl)-4-phenyl-N-propylbutanamide?
The InChIKey is UAGGLAGZBMPGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-12-17(13-11-16)15(18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3.
What are the key properties of N-(2-bromoethyl)-4-phenyl-N-propylbutanamide?
N-(2-bromoethyl)-4-phenyl-N-propylbutanamide has a molecular weight of 312.25 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-4-phenyl-N-propylbutanamide is sourced from PubChem (CID 80660803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).