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

C21H26N4O3 — CID 55824637

IUPACN-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-13(2)19(26)23-16-9-11-17(12-10-16)24-20(27)15-5-7-18(8-6-15)25-21(28)22-14(3)4/h5-14H,1-4H3,(H,23,26)(H,24,27)(H2,22,25,28)
InChIKeyUYNGGJLQSUELST-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.06
Rot. Bonds6

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

N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 55824637) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
PubChem CID55824637
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-13(2)19(26)23-16-9-11-17(12-10-16)24-20(27)15-5-7-18(8-6-15)25-21(28)22-14(3)4/h5-14H,1-4H3,(H,23,26)(H,24,27)(H2,22,25,28)
InChIKeyUYNGGJLQSUELST-UHFFFAOYSA-N
XLogP4.06
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166611
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166430
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55870064
4-methyl-N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide
CID 143491833
4-(methoxymethyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38196484
N-(3,5-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 51179788
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide (CID 55824637) is N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1.
What is the InChIKey of N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is UYNGGJLQSUELST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13(2)19(26)23-16-9-11-17(12-10-16)24-20(27)15-5-7-18(8-6-15)25-21(28)22-14(3)4/h5-14H,1-4H3,(H,23,26)(H,24,27)(H2,22,25,28).
What are the key properties of N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide?
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 382.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 55824637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).