4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide

C20H26N4O2 — CID 46560402

IUPAC4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
SMILESCCN(c1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1)C(C)C
InChIInChI=1S/C20H26N4O2/c1-4-24(14(2)3)18-11-9-17(10-12-18)23-19(25)16-7-5-15(6-8-16)13-22-20(21)26/h5-12,14H,4,13H2,1-3H3,(H,23,25)(H3,21,22,26)
InChIKeyPBJOWIOIVCVMKM-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.34
Rot. Bonds7

About 4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide

4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide (PubChem CID 46560402) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
PubChem CID46560402
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
SMILESCCN(c1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1)C(C)C
InChIInChI=1S/C20H26N4O2/c1-4-24(14(2)3)18-11-9-17(10-12-18)23-19(25)16-7-5-15(6-8-16)13-22-20(21)26/h5-12,14H,4,13H2,1-3H3,(H,23,25)(H3,21,22,26)
InChIKeyPBJOWIOIVCVMKM-UHFFFAOYSA-N
XLogP3.34
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]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

4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 18106356
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
CID 35018877
N-[3-(carbamoylamino)phenyl]-4-[ethyl(propan-2-yl)amino]benzamide
CID 75405974
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 18267387
4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
CID 35614200
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide
CID 7406846
4-[(carbamoylamino)methyl]-N-(3,5-dimethylphenyl)benzamide
CID 29205734
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide
CID 26894071
N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 86878011
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide (CID 46560402) is 4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide is CCN(c1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)cc1)C(C)C.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide?
The InChIKey is PBJOWIOIVCVMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-24(14(2)3)18-11-9-17(10-12-18)23-19(25)16-7-5-15(6-8-16)13-22-20(21)26/h5-12,14H,4,13H2,1-3H3,(H,23,25)(H3,21,22,26).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide?
4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 46560402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).