N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide

C18H21N3O4 — CID 38167581

IUPACN-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
SMILESCOc1ccc(CNC(=O)Nc2cccc(NC(C)=O)c2)cc1OC
InChIInChI=1S/C18H21N3O4/c1-12(22)20-14-5-4-6-15(10-14)21-18(23)19-11-13-7-8-16(24-2)17(9-13)25-3/h4-10H,11H2,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyZDNVIJBYZXGJHP-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.98
Rot. Bonds6

About N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide

N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide (PubChem CID 38167581) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
PubChem CID38167581
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
SMILESCOc1ccc(CNC(=O)Nc2cccc(NC(C)=O)c2)cc1OC
InChIInChI=1S/C18H21N3O4/c1-12(22)20-14-5-4-6-15(10-14)21-18(23)19-11-13-7-8-16(24-2)17(9-13)25-3/h4-10H,11H2,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyZDNVIJBYZXGJHP-UHFFFAOYSA-N
XLogP2.98
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminooxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 142259759
2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 109003188
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 38268450
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 118795841
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide
CID 38216970
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-[(4-bromophenyl)methyl]-3-(3,4-dimethoxyphenyl)urea
CID 108866298
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide (CID 38167581) is N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide is COc1ccc(CNC(=O)Nc2cccc(NC(C)=O)c2)cc1OC.
What is the InChIKey of N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide?
The InChIKey is ZDNVIJBYZXGJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12(22)20-14-5-4-6-15(10-14)21-18(23)19-11-13-7-8-16(24-2)17(9-13)25-3/h4-10H,11H2,1-3H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide?
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide has a molecular weight of 343.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 38167581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).