N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide

C23H30N2O2 — CID 46557695

IUPACN-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)C2CC2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H30N2O2/c1-14(23-11-15-7-16(12-23)9-17(8-15)13-23)24-22(27)19-3-2-4-20(10-19)25-21(26)18-5-6-18/h2-4,10,14-18H,5-9,11-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyWAWMTIIZZUMAKD-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.37
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide

N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide (PubChem CID 46557695) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide
PubChem CID46557695
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)C2CC2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H30N2O2/c1-14(23-11-15-7-16(12-23)9-17(8-15)13-23)24-22(27)19-3-2-4-20(10-19)25-21(26)18-5-6-18/h2-4,10,14-18H,5-9,11-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyWAWMTIIZZUMAKD-UHFFFAOYSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide
CID 51158620
N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 35109336
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
CID 42427444
3-(cyclohexanecarbonylamino)-N-(1-hydroxypropan-2-yl)benzamide
CID 78866259
N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 7929606
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
N-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide
CID 46560441
3-(cyclopropanecarbonylcarbamothioylamino)-N-propan-2-ylbenzamide
CID 17197683
3-(cyclopropanecarbonylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 55387788

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide (CID 46557695) is N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide is CC(NC(=O)c1cccc(NC(=O)C2CC2)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide?
The InChIKey is WAWMTIIZZUMAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-14(23-11-15-7-16(12-23)9-17(8-15)13-23)24-22(27)19-3-2-4-20(10-19)25-21(26)18-5-6-18/h2-4,10,14-18H,5-9,11-13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide?
N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide has a molecular weight of 366.51 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 46557695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).