N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide

C15H21BrN2O2 — CID 107909271

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)CCCCBr
InChIInChI=1S/C15H21BrN2O2/c16-10-5-4-8-15(20)18(11-9-14(17)19)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H2,17,19)
InChIKeyZKFOGFPUXPOIMU-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.46
Rot. Bonds9

About N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide

N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide (PubChem CID 107909271) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide
PubChem CID107909271
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)CCCCBr
InChIInChI=1S/C15H21BrN2O2/c16-10-5-4-8-15(20)18(11-9-14(17)19)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H2,17,19)
InChIKeyZKFOGFPUXPOIMU-UHFFFAOYSA-N
XLogP2.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
CID 28642443
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N',N'-dibenzylbutanediamide
CID 101024490
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990
3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 115949721
N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide
CID 82103781
6-[benzyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 60948107
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316
3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
CID 154136275

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide (CID 107909271) is N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide is NC(=O)CCN(Cc1ccccc1)C(=O)CCCCBr.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide?
The InChIKey is ZKFOGFPUXPOIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c16-10-5-4-8-15(20)18(11-9-14(17)19)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H2,17,19).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide?
N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide has a molecular weight of 341.25 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide is sourced from PubChem (CID 107909271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).