2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide

C14H22N2O2 — CID 43713696

IUPAC2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
SMILESCCOc1ccc(C(C)NC(=O)C(N)CC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-13(15)14(17)16-10(3)11-6-8-12(9-7-11)18-5-2/h6-10,13H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyWUYOIZDGJUEXMJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.00
Rot. Bonds6

About 2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide

2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide (PubChem CID 43713696) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
PubChem CID43713696
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
SMILESCCOc1ccc(C(C)NC(=O)C(N)CC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-13(15)14(17)16-10(3)11-6-8-12(9-7-11)18-5-2/h6-10,13H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyWUYOIZDGJUEXMJ-UHFFFAOYSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
CID 61174084
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875
(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364305
2-amino-N-[1-(4-ethoxyphenyl)ethyl]hexanamide
CID 60854414
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride
CID 119285670
2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide
CID 81070435
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
(2S)-2-amino-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 79024420
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 43876210
2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide
CID 119311275

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide?
The IUPAC name of 2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide (CID 43713696) is 2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide?
The canonical SMILES for 2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide is CCOc1ccc(C(C)NC(=O)C(N)CC)cc1.
What is the InChIKey of 2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide?
The InChIKey is WUYOIZDGJUEXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-13(15)14(17)16-10(3)11-6-8-12(9-7-11)18-5-2/h6-10,13H,4-5,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide?
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide has a molecular weight of 250.34 g/mol, XLogP of 2.00, 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-(4-ethoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 43713696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).