2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide

C14H22N2O2 — CID 43699540

IUPAC2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)C(C)N)cc1
InChIInChI=1S/C14H22N2O2/c1-9(2)18-13-7-5-12(6-8-13)11(4)16-14(17)10(3)15/h5-11H,15H2,1-4H3,(H,16,17)
InChIKeyGXASIDSRFNJYBL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.00
Rot. Bonds5

About 2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide

2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide (PubChem CID 43699540) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
PubChem CID43699540
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)C(C)N)cc1
InChIInChI=1S/C14H22N2O2/c1-9(2)18-13-7-5-12(6-8-13)11(4)16-14(17)10(3)15/h5-11H,15H2,1-4H3,(H,16,17)
InChIKeyGXASIDSRFNJYBL-UHFFFAOYSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride
CID 119285670
(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61155475
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 107568369
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
2-amino-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 61264808
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
(2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide
CID 119311259
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The IUPAC name of 2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide (CID 43699540) is 2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide is CC(C)Oc1ccc(C(C)NC(=O)C(C)N)cc1.
What is the InChIKey of 2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The InChIKey is GXASIDSRFNJYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)18-13-7-5-12(6-8-13)11(4)16-14(17)10(3)15/h5-11H,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide?
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.00, 5 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-propan-2-yloxyphenyl)ethyl]propanamide is sourced from PubChem (CID 43699540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).