N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide

C24H35N3O3 — CID 46450389

IUPACN-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCOc1ccc(C(CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)N(C)C)cc1
InChIInChI=1S/C24H35N3O3/c1-27(2)21(19-4-6-20(30-3)7-5-19)14-25-22(28)15-26-23(29)24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,16-18,21H,8-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyGXMTZJGOGPHQPA-UHFFFAOYSA-N
MW413.56 g/mol
LogP2.75
Rot. Bonds8

About N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 46450389) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID46450389
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC NameN-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCOc1ccc(C(CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)N(C)C)cc1
InChIInChI=1S/C24H35N3O3/c1-27(2)21(19-4-6-20(30-3)7-5-19)14-25-22(28)15-26-23(29)24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,16-18,21H,8-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyGXMTZJGOGPHQPA-UHFFFAOYSA-N
XLogP2.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide
CID 39951386
N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 29295661
1-(adamantane-1-carbonyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 55328544
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 35047582
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18111449
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide
CID 110621142
1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 112501881
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 55526819
N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 55523191
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 90557931

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide (CID 46450389) is N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide is COc1ccc(C(CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)N(C)C)cc1.
What is the InChIKey of N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is GXMTZJGOGPHQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-27(2)21(19-4-6-20(30-3)7-5-19)14-25-22(28)15-26-23(29)24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,16-18,21H,8-15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 46450389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).