4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide

C21H27N3O4 — CID 29216719

IUPAC4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1OCCC
InChIInChI=1S/C21H27N3O4/c1-3-11-27-18-10-9-17(13-19(18)28-12-4-2)24-20(25)16-7-5-15(6-8-16)14-23-21(22)26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,25)(H3,22,23,26)
InChIKeyZVNLKJDGMASYKS-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.68
Rot. Bonds10

About 4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide

4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide (PubChem CID 29216719) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide
PubChem CID29216719
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1OCCC
InChIInChI=1S/C21H27N3O4/c1-3-11-27-18-10-9-17(13-19(18)28-12-4-2)24-20(25)16-7-5-15(6-8-16)14-23-21(22)26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,25)(H3,22,23,26)
InChIKeyZVNLKJDGMASYKS-UHFFFAOYSA-N
XLogP3.68
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445
N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 26878614
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 141154638
4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide
CID 31743702
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide
CID 28639983
4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide
CID 29205734
1-benzyl-3-(3,4-dipropoxyphenyl)thiourea
CID 8660330
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide (CID 29216719) is 4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1OCCC.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide?
The InChIKey is ZVNLKJDGMASYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-3-11-27-18-10-9-17(13-19(18)28-12-4-2)24-20(25)16-7-5-15(6-8-16)14-23-21(22)26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,25)(H3,22,23,26).
What are the key properties of 4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide?
4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide has a molecular weight of 385.46 g/mol, XLogP of 3.68, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide is sourced from PubChem (CID 29216719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).