2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide

C20H25N3O4 — CID 118795841

IUPAC2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide
SMILESCOc1cc(CNC(=O)Nc2cccc(CC(N)=O)c2)ccc1OC(C)C
InChIInChI=1S/C20H25N3O4/c1-13(2)27-17-8-7-15(10-18(17)26-3)12-22-20(25)23-16-6-4-5-14(9-16)11-19(21)24/h4-10,13H,11-12H2,1-3H3,(H2,21,24)(H2,22,23,25)
InChIKeyHJAAVMKKXOOCKX-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.83
Rot. Bonds8

About 2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide

2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide (PubChem CID 118795841) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide
PubChem CID118795841
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide
SMILESCOc1cc(CNC(=O)Nc2cccc(CC(N)=O)c2)ccc1OC(C)C
InChIInChI=1S/C20H25N3O4/c1-13(2)27-17-8-7-15(10-18(17)26-3)12-22-20(25)23-16-6-4-5-14(9-16)11-19(21)24/h4-10,13H,11-12H2,1-3H3,(H2,21,24)(H2,22,23,25)
InChIKeyHJAAVMKKXOOCKX-UHFFFAOYSA-N
XLogP2.83
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38167581
1-(3-aminooxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 142259759
2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 118791176
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3613341
2-(3,4-dimethoxyphenyl)-N-[3-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119438239
2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide
CID 38216970
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 38268450
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545843
1-(4-amino-3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896754
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide?
The IUPAC name of 2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide (CID 118795841) is 2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for 2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for 2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide is COc1cc(CNC(=O)Nc2cccc(CC(N)=O)c2)ccc1OC(C)C.
What is the InChIKey of 2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide?
The InChIKey is HJAAVMKKXOOCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(2)27-17-8-7-15(10-18(17)26-3)12-22-20(25)23-16-6-4-5-14(9-16)11-19(21)24/h4-10,13H,11-12H2,1-3H3,(H2,21,24)(H2,22,23,25).
What are the key properties of 2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide?
2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 118795841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).