N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide

C20H24N2O2 — CID 17309567

IUPACN-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2ccc(C(C)CC)cc2)c1
InChIInChI=1S/C20H24N2O2/c1-4-14(3)15-9-11-17(12-10-15)22-20(24)16-7-6-8-18(13-16)21-19(23)5-2/h6-14H,4-5H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMEAAYSRTXDYGTR-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.80
Rot. Bonds6

About N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide

N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide (PubChem CID 17309567) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide
PubChem CID17309567
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2ccc(C(C)CC)cc2)c1
InChIInChI=1S/C20H24N2O2/c1-4-14(3)15-9-11-17(12-10-15)22-20(24)16-7-6-8-18(13-16)21-19(23)5-2/h6-14H,4-5H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMEAAYSRTXDYGTR-UHFFFAOYSA-N
XLogP4.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 5224241
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
3-amino-N-(4-butan-2-ylphenyl)benzamide
CID 20667037
N-(3-butan-2-ylphenyl)propanamide
CID 139481795
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
CID 55833406
3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
CID 40976698
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide
CID 17312368
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8834577
methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate
CID 17204969

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide (CID 17309567) is N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)Nc2ccc(C(C)CC)cc2)c1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide?
The InChIKey is MEAAYSRTXDYGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-14(3)15-9-11-17(12-10-15)22-20(24)16-7-6-8-18(13-16)21-19(23)5-2/h6-14H,4-5H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide?
N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide has a molecular weight of 324.42 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 17309567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).