N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide

C24H34N2O3 — CID 55860381

IUPACN-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O3/c1-3-29-21-7-5-4-6-20(21)16-26(2)22(27)8-9-25-23(28)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-7,17-19H,3,8-16H2,1-2H3,(H,25,28)
InChIKeyWDBVTSMVWZAFPD-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.77
Rot. Bonds8

About N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 55860381) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID55860381
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O3/c1-3-29-21-7-5-4-6-20(21)16-26(2)22(27)8-9-25-23(28)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-7,17-19H,3,8-16H2,1-2H3,(H,25,28)
InChIKeyWDBVTSMVWZAFPD-UHFFFAOYSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylpropanamide
CID 60962807
N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 8570754
N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide
CID 55907325
N-[3-(3,4-diethoxyanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 16557267
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide
CID 51185847
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 8620754
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
2-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 54873700
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 8620904
N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 51292727

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide (CID 55860381) is N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide is CCOc1ccccc1CN(C)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is WDBVTSMVWZAFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-3-29-21-7-5-4-6-20(21)16-26(2)22(27)8-9-25-23(28)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-7,17-19H,3,8-16H2,1-2H3,(H,25,28).
What are the key properties of N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 55860381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).