5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide

C13H19BrN2O — CID 81376172

IUPAC5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide
SMILESC[C@@H](NC(=O)CCCCN)c1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-10(11-5-4-6-12(14)9-11)16-13(17)7-2-3-8-15/h4-6,9-10H,2-3,7-8,15H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyWSNVRYLQQUILCZ-SNVBAGLBSA-N
MW299.21 g/mol
LogP2.76
Rot. Bonds6

About 5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide

5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide (PubChem CID 81376172) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide
PubChem CID81376172
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide
SMILESC[C@@H](NC(=O)CCCCN)c1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-10(11-5-4-6-12(14)9-11)16-13(17)7-2-3-8-15/h4-6,9-10H,2-3,7-8,15H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyWSNVRYLQQUILCZ-SNVBAGLBSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-4-chlorobutanamide
CID 63307697
N-[1-(3-bromophenyl)ethyl]hept-6-ynamide
CID 113349514
6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide
CID 81366520
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837
N-[1-(3-bromophenyl)ethyl]pent-4-enamide
CID 62678897
4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360738
5-amino-N-[1-(3-bromophenyl)ethyl]-2-methylpentanamide
CID 104683795
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
3-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbutanamide
CID 64686188
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115453559

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide?
The IUPAC name of 5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide (CID 81376172) is 5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide.
What is the SMILES notation for 5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide?
The canonical SMILES for 5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide is C[C@@H](NC(=O)CCCCN)c1cccc(Br)c1.
What is the InChIKey of 5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide?
The InChIKey is WSNVRYLQQUILCZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10(11-5-4-6-12(14)9-11)16-13(17)7-2-3-8-15/h4-6,9-10H,2-3,7-8,15H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide?
5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide has a molecular weight of 299.21 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide is sourced from PubChem (CID 81376172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).