N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide

C20H25N3O2 — CID 17180586

IUPACN-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-13(2)15-5-9-17(10-6-15)22-20(25)23-18-11-7-16(8-12-18)19(24)21-14(3)4/h5-14H,1-4H3,(H,21,24)(H2,22,23,25)
InChIKeyWEPGPCBTANKBCE-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.59
Rot. Bonds5

About N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide

N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide (PubChem CID 17180586) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
PubChem CID17180586
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-13(2)15-5-9-17(10-6-15)22-20(25)23-18-11-7-16(8-12-18)19(24)21-14(3)4/h5-14H,1-4H3,(H,21,24)(H2,22,23,25)
InChIKeyWEPGPCBTANKBCE-UHFFFAOYSA-N
XLogP4.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26157459
4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180593
4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180579
N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
CID 17177513
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166611
4-(butylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180623
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide?
The IUPAC name of N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide (CID 17180586) is N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide?
The canonical SMILES for N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide is CC(C)NC(=O)c1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide?
The InChIKey is WEPGPCBTANKBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(2)15-5-9-17(10-6-15)22-20(25)23-18-11-7-16(8-12-18)19(24)21-14(3)4/h5-14H,1-4H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide?
N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide has a molecular weight of 339.44 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide is sourced from PubChem (CID 17180586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).