N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide

C17H19N3O4 — CID 108869362

IUPACN-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
SMILESCOc1cc(NC(=O)Nc2ccc(NC(C)=O)cc2)cc(OC)c1
InChIInChI=1S/C17H19N3O4/c1-11(21)18-12-4-6-13(7-5-12)19-17(22)20-14-8-15(23-2)10-16(9-14)24-3/h4-10H,1-3H3,(H,18,21)(H2,19,20,22)
InChIKeyDVHYHDADAUHJIP-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.31
Rot. Bonds5

About N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide

N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide (PubChem CID 108869362) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
PubChem CID108869362
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
SMILESCOc1cc(NC(=O)Nc2ccc(NC(C)=O)cc2)cc(OC)c1
InChIInChI=1S/C17H19N3O4/c1-11(21)18-12-4-6-13(7-5-12)19-17(22)20-14-8-15(23-2)10-16(9-14)24-3/h4-10H,1-3H3,(H,18,21)(H2,19,20,22)
InChIKeyDVHYHDADAUHJIP-UHFFFAOYSA-N
XLogP3.31
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)acetamide
CID 702039
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea
CID 108869515
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide
CID 43824322
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
1-(4-bromo-3-methylphenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869555
1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869425
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
methane;N-(3-methoxyphenyl)acetamide
CID 161026095

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide (CID 108869362) is N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide is COc1cc(NC(=O)Nc2ccc(NC(C)=O)cc2)cc(OC)c1.
What is the InChIKey of N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide?
The InChIKey is DVHYHDADAUHJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11(21)18-12-4-6-13(7-5-12)19-17(22)20-14-8-15(23-2)10-16(9-14)24-3/h4-10H,1-3H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide?
N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide has a molecular weight of 329.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108869362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).