2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide

C14H21BrN2O2 — CID 43713410

IUPAC2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-4-5-12(16)14(18)17-9(2)10-6-7-13(19-3)11(15)8-10/h6-9,12H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyAGTWUOKHMYODNR-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.76
Rot. Bonds6

About 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide

2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide (PubChem CID 43713410) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide
PubChem CID43713410
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-4-5-12(16)14(18)17-9(2)10-6-7-13(19-3)11(15)8-10/h6-9,12H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyAGTWUOKHMYODNR-UHFFFAOYSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119273672
(2S)-2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61178461
2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride
CID 119318972
ethyl N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962784
ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962788
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methoxypropanamide
CID 112685677
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 43713382
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
(2S)-N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-prop-2-enoxypropanamide
CID 94818734
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-prop-2-enoxypropanamide
CID 48850979
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide?
The IUPAC name of 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide (CID 43713410) is 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide is CCCC(N)C(=O)NC(C)c1ccc(OC)c(Br)c1.
What is the InChIKey of 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide?
The InChIKey is AGTWUOKHMYODNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-4-5-12(16)14(18)17-9(2)10-6-7-13(19-3)11(15)8-10/h6-9,12H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide?
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide has a molecular weight of 329.24 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 43713410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).