2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C19H23N3O3S — CID 40760677

IUPAC2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESC=CCOc1ccc(CN(C)CC(=O)NC(=O)NCc2cccs2)cc1
InChIInChI=1S/C19H23N3O3S/c1-3-10-25-16-8-6-15(7-9-16)13-22(2)14-18(23)21-19(24)20-12-17-5-4-11-26-17/h3-9,11H,1,10,12-14H2,2H3,(H2,20,21,23,24)
InChIKeyYXNCIGLHXFATTM-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.77
Rot. Bonds9

About 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 40760677) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID40760677
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESC=CCOc1ccc(CN(C)CC(=O)NC(=O)NCc2cccs2)cc1
InChIInChI=1S/C19H23N3O3S/c1-3-10-25-16-8-6-15(7-9-16)13-22(2)14-18(23)21-19(24)20-12-17-5-4-11-26-17/h3-9,11H,1,10,12-14H2,2H3,(H2,20,21,23,24)
InChIKeyYXNCIGLHXFATTM-UHFFFAOYSA-N
XLogP2.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]carbamate
CID 9167602
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40741355
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 37422554
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40761111
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9460688
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 26387450
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27081744
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 27075867
N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide
CID 55432120
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 4818761
2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 166216279
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9168111

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 40760677) is 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is C=CCOc1ccc(CN(C)CC(=O)NC(=O)NCc2cccs2)cc1.
What is the InChIKey of 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is YXNCIGLHXFATTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-10-25-16-8-6-15(7-9-16)13-22(2)14-18(23)21-19(24)20-12-17-5-4-11-26-17/h3-9,11H,1,10,12-14H2,2H3,(H2,20,21,23,24).
What are the key properties of 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 373.48 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 40760677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).