N-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide

C25H36N2O3 — CID 78855618

IUPACN-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide
SMILESCCCCN(CCO)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C25H36N2O3/c1-2-3-8-27(9-10-28)23(29)22-6-4-18(5-7-22)17-26-24(30)25-14-19-11-20(15-25)13-21(12-19)16-25/h4-7,19-21,28H,2-3,8-17H2,1H3,(H,26,30)
InChIKeyHZDDERQIDGDVNV-UHFFFAOYSA-N
MW412.57 g/mol
LogP3.75
Rot. Bonds9

About N-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide

N-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide (PubChem CID 78855618) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is N-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide
PubChem CID78855618
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC NameN-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide
SMILESCCCCN(CCO)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C25H36N2O3/c1-2-3-8-27(9-10-28)23(29)22-6-4-18(5-7-22)17-26-24(30)25-14-19-11-20(15-25)13-21(12-19)16-25/h4-7,19-21,28H,2-3,8-17H2,1H3,(H,26,30)
InChIKeyHZDDERQIDGDVNV-UHFFFAOYSA-N
XLogP3.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[2-(methylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide;hydrochloride
CID 119501131
3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea
CID 111106652
formaldehyde;N-hexyl-4-[(4-hydroxybutylamino)methyl]-N-pentylbenzamide;methanol
CID 142267477
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
N-[1-[benzyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 78798058
N-butyl-N-decyl-4-ethylbenzamide
CID 91714679
N-[[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 18107557
N-[[4-[[3-(dimethylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 32627059
N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 37018670
N-[[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide
CID 78813329
N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 46612410
N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 119387048

Frequently Asked Questions

What is the IUPAC name of N-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide (CID 78855618) is N-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide is CCCCN(CCO)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is HZDDERQIDGDVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-2-3-8-27(9-10-28)23(29)22-6-4-18(5-7-22)17-26-24(30)25-14-19-11-20(15-25)13-21(12-19)16-25/h4-7,19-21,28H,2-3,8-17H2,1H3,(H,26,30).
What are the key properties of N-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide?
N-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 412.57 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 78855618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).