2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C19H25ClN2O3 — CID 60507099

IUPAC2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN(C)CCCOc2cccc(Cl)c2)o1
InChIInChI=1S/C19H25ClN2O3/c1-15-8-9-18(25-15)13-22(3)19(23)14-21(2)10-5-11-24-17-7-4-6-16(20)12-17/h4,6-9,12H,5,10-11,13-14H2,1-3H3
InChIKeyVCEVPUXVYGMUGW-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.60
Rot. Bonds9

About 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 60507099) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID60507099
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN(C)CCCOc2cccc(Cl)c2)o1
InChIInChI=1S/C19H25ClN2O3/c1-15-8-9-18(25-15)13-22(3)19(23)14-21(2)10-5-11-24-17-7-4-6-16(20)12-17/h4,6-9,12H,5,10-11,13-14H2,1-3H3
InChIKeyVCEVPUXVYGMUGW-UHFFFAOYSA-N
XLogP3.60
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 167812715
3-(3-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61093633
4-[3-(3-chlorophenoxy)propyl-methylamino]butanoic acid
CID 119134826
methyl 5-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]furan-2-carboxylate
CID 55431674
2-[(3-chlorophenyl)methylsulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 112790538
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 60646267
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78768448
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 60507014
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[3-(3-chlorophenoxy)propyl-methylamino]acetamide
CID 60507253
N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide
CID 119739733
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17448221

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 60507099) is 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CN(C)CCCOc2cccc(Cl)c2)o1.
What is the InChIKey of 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is VCEVPUXVYGMUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-15-8-9-18(25-15)13-22(3)19(23)14-21(2)10-5-11-24-17-7-4-6-16(20)12-17/h4,6-9,12H,5,10-11,13-14H2,1-3H3.
What are the key properties of 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 364.87 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 60507099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).