N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide

C14H19ClN2O2 — CID 137400318

IUPACN-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide
SMILESCC(C)=C(N)CCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-10(2)13(16)7-8-17-14(18)9-19-12-5-3-11(15)4-6-12/h3-6H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyONZPQTOEJRUCIE-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.48
Rot. Bonds6

About N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide

N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 137400318) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide
PubChem CID137400318
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide
SMILESCC(C)=C(N)CCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-10(2)13(16)7-8-17-14(18)9-19-12-5-3-11(15)4-6-12/h3-6H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyONZPQTOEJRUCIE-UHFFFAOYSA-N
XLogP2.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113059644
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
CID 62658790
methyl 6-[[2-(4-chlorophenoxy)acetyl]amino]hexanoate
CID 43404589
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108573295
N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide
CID 139571782
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-cyanoacetamide
CID 108537322

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide (CID 137400318) is N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide is CC(C)=C(N)CCNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is ONZPQTOEJRUCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10(2)13(16)7-8-17-14(18)9-19-12-5-3-11(15)4-6-12/h3-6H,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide?
N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 282.77 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 137400318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).