2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide

C15H21ClN2O2 — CID 60906880

IUPAC2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(Cl)cc1CC(N)CC
InChIInChI=1S/C15H21ClN2O2/c1-3-7-18-15(19)10-20-14-6-5-12(16)8-11(14)9-13(17)4-2/h3,5-6,8,13H,1,4,7,9-10,17H2,2H3,(H,18,19)
InChIKeySFXPYYWXZYIDOZ-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.30
Rot. Bonds8

About 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide

2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide (PubChem CID 60906880) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
PubChem CID60906880
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(Cl)cc1CC(N)CC
InChIInChI=1S/C15H21ClN2O2/c1-3-7-18-15(19)10-20-14-6-5-12(16)8-11(14)9-13(17)4-2/h3,5-6,8,13H,1,4,7,9-10,17H2,2H3,(H,18,19)
InChIKeySFXPYYWXZYIDOZ-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
CID 60908333
2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
CID 60879262
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60881072
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide
CID 107700877
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide
CID 61485901
2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide
CID 63326256
(E)-3-[5-chloro-2-[2-oxo-2-(prop-2-enylamino)ethoxy]phenyl]prop-2-enoic acid
CID 43325009
1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 54929442
1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine
CID 54929309
2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide
CID 60907106
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 55188483
1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide (CID 60906880) is 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc(Cl)cc1CC(N)CC.
What is the InChIKey of 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide?
The InChIKey is SFXPYYWXZYIDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-7-18-15(19)10-20-14-6-5-12(16)8-11(14)9-13(17)4-2/h3,5-6,8,13H,1,4,7,9-10,17H2,2H3,(H,18,19).
What are the key properties of 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide?
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide has a molecular weight of 296.80 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 60906880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).