3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide

C19H22N4O3 — CID 55830520

IUPAC3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NCc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C19H22N4O3/c1-12(2)22-19(26)23-16-8-6-14(7-9-16)18(25)21-11-13-4-3-5-15(10-13)17(20)24/h3-10,12H,11H2,1-2H3,(H2,20,24)(H,21,25)(H2,22,23,26)
InChIKeyIZTXUCNWZOAHCR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.25
Rot. Bonds6

About 3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide

3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide (PubChem CID 55830520) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide
PubChem CID55830520
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NCc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C19H22N4O3/c1-12(2)22-19(26)23-16-8-6-14(7-9-16)18(25)21-11-13-4-3-5-15(10-13)17(20)24/h3-10,12H,11H2,1-2H3,(H2,20,24)(H,21,25)(H2,22,23,26)
InChIKeyIZTXUCNWZOAHCR-UHFFFAOYSA-N
XLogP2.25
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
2-[3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]phenoxy]acetic acid
CID 119246830
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55822287
N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 60506191
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46430226
N-(2-aminoethyl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119384323
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 55693837
4-(benzotriazol-1-ylmethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46464969
3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842589

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide (CID 55830520) is 3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide is CC(C)NC(=O)Nc1ccc(C(=O)NCc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide?
The InChIKey is IZTXUCNWZOAHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(2)22-19(26)23-16-8-6-14(7-9-16)18(25)21-11-13-4-3-5-15(10-13)17(20)24/h3-10,12H,11H2,1-2H3,(H2,20,24)(H,21,25)(H2,22,23,26).
What are the key properties of 3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide?
3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 55830520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).