N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide

C23H33N3O3 — CID 8798899

IUPACN-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H33N3O3/c1-3-29-20-6-4-16(5-7-20)14-26(2)15-21(27)24-22(28)25-23-11-17-8-18(12-23)10-19(9-17)13-23/h4-7,17-19H,3,8-15H2,1-2H3,(H2,24,25,27,28)
InChIKeyWLTYFUFXIPHQEB-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.31
Rot. Bonds7

About N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide

N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide (PubChem CID 8798899) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
PubChem CID8798899
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H33N3O3/c1-3-29-20-6-4-16(5-7-20)14-26(2)15-21(27)24-22(28)25-23-11-17-8-18(12-23)10-19(9-17)13-23/h4-7,17-19H,3,8-15H2,1-2H3,(H2,24,25,27,28)
InChIKeyWLTYFUFXIPHQEB-UHFFFAOYSA-N
XLogP3.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide
CID 9040085
N-(1-adamantylcarbamoyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770435
N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
CID 3556406
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799035
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 27204242
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 4818761
N-(1-adamantylcarbamoyl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
CID 8767271
N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794614
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054385
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8515355

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide (CID 8798899) is N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide is CCOc1ccc(CN(C)CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is WLTYFUFXIPHQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-3-29-20-6-4-16(5-7-20)14-26(2)15-21(27)24-22(28)25-23-11-17-8-18(12-23)10-19(9-17)13-23/h4-7,17-19H,3,8-15H2,1-2H3,(H2,24,25,27,28).
What are the key properties of N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 399.54 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8798899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).