4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide

C19H24N4O2 — CID 119293093

IUPAC4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C19H24N4O2/c1-13(2)22-19(25)23-17-9-5-15(6-10-17)12-21-18(24)16-7-3-14(11-20)4-8-16/h3-10,13H,11-12,20H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyPUYPNDBFLUOKPD-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.61
Rot. Bonds6

About 4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide

4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide (PubChem CID 119293093) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
PubChem CID119293093
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C19H24N4O2/c1-13(2)22-19(25)23-17-9-5-15(6-10-17)12-21-18(24)16-7-3-14(11-20)4-8-16/h3-10,13H,11-12,20H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyPUYPNDBFLUOKPD-UHFFFAOYSA-N
XLogP2.61
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 60506191
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide
CID 55830520
N-(2-aminoethyl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119384323
4-chloro-3-iodo-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456497
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 48503063
3-methoxy-4-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456572
2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride
CID 119293088
4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55822287
1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 86986258
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
2-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119730363

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide (CID 119293093) is 4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide is CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(CN)cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
The InChIKey is PUYPNDBFLUOKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)22-19(25)23-17-9-5-15(6-10-17)12-21-18(24)16-7-3-14(11-20)4-8-16/h3-10,13H,11-12,20H2,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of 4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 119293093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).