5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide

C11H21BrN2O2 — CID 107908685

IUPAC5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide
SMILESCCCNC(=O)C(C)NC(=O)CCCCBr
InChIInChI=1S/C11H21BrN2O2/c1-3-8-13-11(16)9(2)14-10(15)6-4-5-7-12/h9H,3-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyOOJIHADYYUHAQO-UHFFFAOYSA-N
MW293.21 g/mol
LogP1.58
Rot. Bonds8

About 5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide

5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide (PubChem CID 107908685) has the molecular formula C11H21BrN2O2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide
PubChem CID107908685
Molecular FormulaC11H21BrN2O2
Molecular Weight293.21 g/mol
Exact Mass292.08
IUPAC Name5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide
SMILESCCCNC(=O)C(C)NC(=O)CCCCBr
InChIInChI=1S/C11H21BrN2O2/c1-3-8-13-11(16)9(2)14-10(15)6-4-5-7-12/h9H,3-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyOOJIHADYYUHAQO-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
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

4-oxo-4-[[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoic acid
CID 95989133
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide
CID 162387449
(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
CID 9207769
6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid
CID 61477979
5-bromo-N-(3-methylbutan-2-yl)pentanamide
CID 107907391
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide
CID 60850068
7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
CID 43579253
N-(1-bromo-3-methylbutan-2-yl)dodecanamide
CID 114316280
N-(1-bromo-4-methylpentan-3-yl)hexanamide
CID 106355062
N,N'-dipropyldecanediamide
CID 102239298
5-bromo-N-methylpentanamide
CID 19971018

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide?
The IUPAC name of 5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide (CID 107908685) is 5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide.
What is the SMILES notation for 5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide?
The canonical SMILES for 5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide is CCCNC(=O)C(C)NC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide?
The InChIKey is OOJIHADYYUHAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2O2/c1-3-8-13-11(16)9(2)14-10(15)6-4-5-7-12/h9H,3-8H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide?
5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide has a molecular weight of 293.21 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide is sourced from PubChem (CID 107908685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).