N-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide

C21H26N2O2 — CID 51241953

IUPACN-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)C2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C21H26N2O2/c24-20(22-17-4-5-17)14-2-1-3-18(11-14)23-21(25)19-15-7-12-6-13(9-15)10-16(19)8-12/h1-3,11-13,15-17,19H,4-10H2,(H,22,24)(H,23,25)
InChIKeyWDBFCZWRXYDFND-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.59
Rot. Bonds4

About N-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide

N-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide (PubChem CID 51241953) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide
PubChem CID51241953
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)C2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C21H26N2O2/c24-20(22-17-4-5-17)14-2-1-3-18(11-14)23-21(25)19-15-7-12-6-13(9-15)10-16(19)8-12/h1-3,11-13,15-17,19H,4-10H2,(H,22,24)(H,23,25)
InChIKeyWDBFCZWRXYDFND-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate
CID 18280184
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide
CID 51339061
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045
N-(4-hydroxycyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110888559
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120631994
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide (CID 51241953) is N-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide is O=C(NC1CC1)c1cccc(NC(=O)C2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide?
The InChIKey is WDBFCZWRXYDFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-20(22-17-4-5-17)14-2-1-3-18(11-14)23-21(25)19-15-7-12-6-13(9-15)10-16(19)8-12/h1-3,11-13,15-17,19H,4-10H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide?
N-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide is sourced from PubChem (CID 51241953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).