N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide

C21H28N2O2 — CID 35109336

IUPACN-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C21H28N2O2/c1-13(2)22-19(24)17-4-3-5-18(9-17)23-20(25)21-10-14-6-15(11-21)8-16(7-14)12-21/h3-5,9,13-16H,6-8,10-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNAPMBEUOAFBMFN-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.98
Rot. Bonds4

About N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide

N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide (PubChem CID 35109336) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
PubChem CID35109336
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C21H28N2O2/c1-13(2)22-19(24)17-4-3-5-18(9-17)23-20(25)21-10-14-6-15(11-21)8-16(7-14)12-21/h3-5,9,13-16H,6-8,10-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNAPMBEUOAFBMFN-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 54787602
N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787575
N-[3-(1-acetamidoethyl)phenyl]adamantane-1-carboxamide
CID 16762867
N-(3-hydroxyphenyl)adamantane-1-carboxamide
CID 4623893
N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 54787348
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 9038662
N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide
CID 46557695
3-bromo-N-[3-(methylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 16550312
3-[[(E)-3-[4-(1-adamantyl)phenoxy]prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 71457190
N-[[4-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]adamantane-1-carboxamide
CID 54787636
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 34328308

Frequently Asked Questions

What is the IUPAC name of N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide (CID 35109336) is N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide is CC(C)NC(=O)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide?
The InChIKey is NAPMBEUOAFBMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-13(2)22-19(24)17-4-3-5-18(9-17)23-20(25)21-10-14-6-15(11-21)8-16(7-14)12-21/h3-5,9,13-16H,6-8,10-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide?
N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 35109336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).