2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide

C14H21ClN2O2 — CID 54862650

IUPAC2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)C(N)CC(C)C
InChIInChI=1S/C14H21ClN2O2/c1-4-19-13-6-5-10(15)8-12(13)17-14(18)11(16)7-9(2)3/h5-6,8-9,11H,4,7,16H2,1-3H3,(H,17,18)
InChIKeyQQBVURQTOMLFIJ-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.05
Rot. Bonds6

About 2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide

2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide (PubChem CID 54862650) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide
PubChem CID54862650
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)C(N)CC(C)C
InChIInChI=1S/C14H21ClN2O2/c1-4-19-13-6-5-10(15)8-12(13)17-14(18)11(16)7-9(2)3/h5-6,8-9,11H,4,7,16H2,1-3H3,(H,17,18)
InChIKeyQQBVURQTOMLFIJ-UHFFFAOYSA-N
XLogP3.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide
CID 112685938
2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide
CID 81083183
(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide
CID 119317513
(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 104903780
2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide
CID 119317523
2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119317522
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
CID 79204145
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
(2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide
CID 61180506
2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
CID 24690909
1-amino-N-(5-chloro-2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463820

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide (CID 54862650) is 2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide is CCOc1ccc(Cl)cc1NC(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide?
The InChIKey is QQBVURQTOMLFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-19-13-6-5-10(15)8-12(13)17-14(18)11(16)7-9(2)3/h5-6,8-9,11H,4,7,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide?
2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide has a molecular weight of 284.79 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide is sourced from PubChem (CID 54862650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).