2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide

C17H25BrN2O2 — CID 119319329

IUPAC2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide
SMILESCCCC(N)C(=O)N(Cc1cc(Br)ccc1OCC)C1CC1
InChIInChI=1S/C17H25BrN2O2/c1-3-5-15(19)17(21)20(14-7-8-14)11-12-10-13(18)6-9-16(12)22-4-2/h6,9-10,14-15H,3-5,7-8,11,19H2,1-2H3
InChIKeyFDLXOQJADIJKGP-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.47
Rot. Bonds8

About 2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide

2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide (PubChem CID 119319329) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is 2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide
PubChem CID119319329
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Name2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide
SMILESCCCC(N)C(=O)N(Cc1cc(Br)ccc1OCC)C1CC1
InChIInChI=1S/C17H25BrN2O2/c1-3-5-15(19)17(21)20(14-7-8-14)11-12-10-13(18)6-9-16(12)22-4-2/h6,9-10,14-15H,3-5,7-8,11,19H2,1-2H3
InChIKeyFDLXOQJADIJKGP-UHFFFAOYSA-N
XLogP3.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride
CID 119776317
(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide
CID 93370556
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide
CID 119776314
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119776313
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
CID 60938574
2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 170879238
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 119776320
(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide
CID 93375654
2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
CID 119298871
(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
CID 93369625
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide
CID 103830977
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine
CID 940103

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide?
The IUPAC name of 2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide (CID 119319329) is 2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide.
What is the SMILES notation for 2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide?
The canonical SMILES for 2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide is CCCC(N)C(=O)N(Cc1cc(Br)ccc1OCC)C1CC1.
What is the InChIKey of 2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide?
The InChIKey is FDLXOQJADIJKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-3-5-15(19)17(21)20(14-7-8-14)11-12-10-13(18)6-9-16(12)22-4-2/h6,9-10,14-15H,3-5,7-8,11,19H2,1-2H3.
What are the key properties of 2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide?
2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide has a molecular weight of 369.30 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide is sourced from PubChem (CID 119319329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).