3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide

C14H20N2O2 — CID 112508678

IUPAC3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(C(N)CC(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-18-12-7-3-10(4-8-12)13(15)9-14(17)16-11-5-6-11/h3-4,7-8,11,13H,2,5-6,9,15H2,1H3,(H,16,17)
InChIKeyTUYPXZJRTYMDQB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.75
Rot. Bonds6

About 3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide

3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide (PubChem CID 112508678) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide
PubChem CID112508678
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(C(N)CC(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-18-12-7-3-10(4-8-12)13(15)9-14(17)16-11-5-6-11/h3-4,7-8,11,13H,2,5-6,9,15H2,1H3,(H,16,17)
InChIKeyTUYPXZJRTYMDQB-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-amino-3-(4-ethoxyphenyl)propanoate;hydrochloride
CID 171246532
N-cyclopropyl-3-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 79394735
2-(4-ethoxyphenyl)-N-(4-methylcyclohexyl)acetamide
CID 78785999
4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide
CID 112511397
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281
methyl 4-amino-4-(4-ethoxyphenyl)butanoate
CID 60862003
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229909
3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
CID 119949671
N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119477343
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
N-cyclopentyl-2-(4-ethoxyanilino)acetamide
CID 28569669

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide (CID 112508678) is 3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide is CCOc1ccc(C(N)CC(=O)NC2CC2)cc1.
What is the InChIKey of 3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide?
The InChIKey is TUYPXZJRTYMDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-12-7-3-10(4-8-12)13(15)9-14(17)16-11-5-6-11/h3-4,7-8,11,13H,2,5-6,9,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide?
3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 112508678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).