3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide

C18H21N3O3 — CID 134006466

IUPAC3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
SMILESCOc1cccc(CN(C)C(=O)NCc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C18H21N3O3/c1-21(12-14-6-4-8-16(10-14)24-2)18(23)20-11-13-5-3-7-15(9-13)17(19)22/h3-10H,11-12H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyMPYFKQOUILWNMA-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.14
Rot. Bonds6

About 3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide

3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide (PubChem CID 134006466) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
PubChem CID134006466
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
SMILESCOc1cccc(CN(C)C(=O)NCc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C18H21N3O3/c1-21(12-14-6-4-8-16(10-14)24-2)18(23)20-11-13-5-3-7-15(9-13)17(19)22/h3-10H,11-12H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyMPYFKQOUILWNMA-UHFFFAOYSA-N
XLogP2.14
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 27517905
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86999385
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 38148280
3-[[[N-[(2,4-dimethoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]methyl]benzamide
CID 111297053
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 9266277
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288
3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide
CID 61420166
3-[[3-(2,4-dimethoxyphenyl)prop-2-enoyl-methylamino]methyl]benzamide
CID 55920663

Frequently Asked Questions

What is the IUPAC name of 3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide (CID 134006466) is 3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide is COc1cccc(CN(C)C(=O)NCc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide?
The InChIKey is MPYFKQOUILWNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(12-14-6-4-8-16(10-14)24-2)18(23)20-11-13-5-3-7-15(9-13)17(19)22/h3-10H,11-12H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide?
3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide is sourced from PubChem (CID 134006466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).