2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide

C22H35FN4O3 — CID 123292467

IUPAC2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(C)C(=O)C(NCCOc1cc(F)ccc1CCCN)C1CC1
InChIInChI=1S/C22H35FN4O3/c1-4-25-21(28)15(2)27(3)22(29)20(17-7-8-17)26-12-13-30-19-14-18(23)10-9-16(19)6-5-11-24/h9-10,14-15,17,20,26H,4-8,11-13,24H2,1-3H3,(H,25,28)
InChIKeyTYOAVWIPHKSMJF-UHFFFAOYSA-N
MW422.55 g/mol
LogP1.45
Rot. Bonds13

About 2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide

2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide (PubChem CID 123292467) has the molecular formula C22H35FN4O3 and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide
PubChem CID123292467
Molecular FormulaC22H35FN4O3
Molecular Weight422.55 g/mol
Exact Mass422.27
IUPAC Name2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(C)C(=O)C(NCCOc1cc(F)ccc1CCCN)C1CC1
InChIInChI=1S/C22H35FN4O3/c1-4-25-21(28)15(2)27(3)22(29)20(17-7-8-17)26-12-13-30-19-14-18(23)10-9-16(19)6-5-11-24/h9-10,14-15,17,20,26H,4-8,11-13,24H2,1-3H3,(H,25,28)
InChIKeyTYOAVWIPHKSMJF-UHFFFAOYSA-N
XLogP1.45
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[(2S)-2-[2-(2-butyl-5-chlorophenoxy)ethylamino]-2-cyclopropylacetyl]-methylamino]-N-[(2R)-1-(4-fluorophenyl)-3-oxobutan-2-yl]propanamide
CID 70985323
2-chloro-1-ethyl-4-methylbenzene;2-cyclopropyl-N-methyl-2-[2-[2-[3-[[2-(methylamino)acetyl]amino]propyl]phenoxy]ethylamino]-N-(2-oxoethyl)acetamide
CID 143168517
2-[2-[5-fluoro-2-[3-(methylamino)propyl]phenoxy]ethylamino]-N,3-dimethyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]hexanamide
CID 143168489
2-amino-N-[3-(2,4-difluorophenoxy)propyl]propanamide
CID 112509123
1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 62572699
(2S,5R)-5-[2-(3-aminopropyl)phenoxy]-2-cyclopropyl-N-[(2R,5S)-5-[(4-fluorophenyl)methyl]-3,6-dioxoheptan-2-yl]-N-methylhexanamide
CID 158160498
N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
CID 63273198
2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide
CID 43319058
1-(1-cyclopropylethyl)-3-[2-(2,5-difluorophenyl)ethyl]-1-methylurea
CID 71864833
4-(4-fluoro-2-methoxyphenyl)butan-1-amine
CID 117287200
5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine
CID 55169271
N-[2-[[2-[3-(2-cyclobutyl-4-fluorophenyl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide;4-methylphenol
CID 145498782

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide (CID 123292467) is 2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide is CCNC(=O)C(C)N(C)C(=O)C(NCCOc1cc(F)ccc1CCCN)C1CC1.
What is the InChIKey of 2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide?
The InChIKey is TYOAVWIPHKSMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FN4O3/c1-4-25-21(28)15(2)27(3)22(29)20(17-7-8-17)26-12-13-30-19-14-18(23)10-9-16(19)6-5-11-24/h9-10,14-15,17,20,26H,4-8,11-13,24H2,1-3H3,(H,25,28).
What are the key properties of 2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide?
2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide has a molecular weight of 422.55 g/mol, XLogP of 1.45, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[2-(3-aminopropyl)-5-fluorophenoxy]ethylamino]-2-cyclopropylacetyl]-methylamino]-N-ethylpropanamide is sourced from PubChem (CID 123292467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).