N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

C24H33N3O2 — CID 9453639

IUPACN-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C24H33N3O2/c1-15(2)20-8-7-9-21(16(3)4)22(20)27-23(28)19-12-10-18(11-13-19)14-25-24(29)26-17(5)6/h7-13,15-17H,14H2,1-6H3,(H,27,28)(H2,25,26,29)
InChIKeyKPBVFFMQGHXOMM-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.39
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (PubChem CID 9453639) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
PubChem CID9453639
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C24H33N3O2/c1-15(2)20-8-7-9-21(16(3)4)22(20)27-23(28)19-12-10-18(11-13-19)14-25-24(29)26-17(5)6/h7-13,15-17H,14H2,1-6H3,(H,27,28)(H2,25,26,29)
InChIKeyKPBVFFMQGHXOMM-UHFFFAOYSA-N
XLogP5.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
N-(3,5-dichlorophenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9206376
N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 33101638
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9270671
N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 17395323
4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 9374254
N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 49381870

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (CID 9453639) is N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is CC(C)NC(=O)NCc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The InChIKey is KPBVFFMQGHXOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-15(2)20-8-7-9-21(16(3)4)22(20)27-23(28)19-12-10-18(11-13-19)14-25-24(29)26-17(5)6/h7-13,15-17H,14H2,1-6H3,(H,27,28)(H2,25,26,29).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide has a molecular weight of 395.55 g/mol, XLogP of 5.39, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is sourced from PubChem (CID 9453639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).