N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide

C20H24N4O3 — CID 38043079

IUPACN-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1
InChIInChI=1S/C20H24N4O3/c1-4-18(25)22-16-9-6-10-17(12-16)23-19(26)14-7-5-8-15(11-14)24-20(27)21-13(2)3/h5-13H,4H2,1-3H3,(H,22,25)(H,23,26)(H2,21,24,27)
InChIKeyKLAUWGMXOKYWJY-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.82
Rot. Bonds6

About N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide

N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 38043079) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID38043079
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1
InChIInChI=1S/C20H24N4O3/c1-4-18(25)22-16-9-6-10-17(12-16)23-19(26)14-7-5-8-15(11-14)24-20(27)21-13(2)3/h5-13H,4H2,1-3H3,(H,22,25)(H,23,26)(H2,21,24,27)
InChIKeyKLAUWGMXOKYWJY-UHFFFAOYSA-N
XLogP3.82
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 31873928
N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide
CID 17309567
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
CID 40976698
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 86983303
3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119211691
1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
CID 47202672

Frequently Asked Questions

What is the IUPAC name of N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide (CID 38043079) is N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide is CCC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1.
What is the InChIKey of N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is KLAUWGMXOKYWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-4-18(25)22-16-9-6-10-17(12-16)23-19(26)14-7-5-8-15(11-14)24-20(27)21-13(2)3/h5-13H,4H2,1-3H3,(H,22,25)(H,23,26)(H2,21,24,27).
What are the key properties of N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 368.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 38043079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).