2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide

C17H20ClN3O4 — CID 9136719

IUPAC2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCOc1ccc(Cl)cc1CN(C)CC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C17H20ClN3O4/c1-21(10-12-8-13(18)5-6-15(12)24-2)11-16(22)20-17(23)19-9-14-4-3-7-25-14/h3-8H,9-11H2,1-2H3,(H2,19,20,22,23)
InChIKeyBKVUXMVDBDPFIH-UHFFFAOYSA-N
MW365.82 g/mol
LogP2.40
Rot. Bonds7

About 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 9136719) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID9136719
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCOc1ccc(Cl)cc1CN(C)CC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C17H20ClN3O4/c1-21(10-12-8-13(18)5-6-15(12)24-2)11-16(22)20-17(23)19-9-14-4-3-7-25-14/h3-8H,9-11H2,1-2H3,(H2,19,20,22,23)
InChIKeyBKVUXMVDBDPFIH-UHFFFAOYSA-N
XLogP2.40
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9167118
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 6493708
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 4818761
ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate
CID 62011616
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 78899137
3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 87008094
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51227933
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629968
2-(dipropylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 43061736
4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 9136923
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dichlorophenyl)acetamide
CID 9136519
N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 26517921

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 9136719) is 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide is COc1ccc(Cl)cc1CN(C)CC(=O)NC(=O)NCc1ccco1.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is BKVUXMVDBDPFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c1-21(10-12-8-13(18)5-6-15(12)24-2)11-16(22)20-17(23)19-9-14-4-3-7-25-14/h3-8H,9-11H2,1-2H3,(H2,19,20,22,23).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 365.82 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 9136719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).