N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide

C20H35N3O2 — CID 30550443

IUPACN-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCCN(CC)CCNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H35N3O2/c1-3-23(4-2)8-7-21-18(24)5-6-22-19(25)20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,3-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyAWKYRIGVPGWVMA-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.17
Rot. Bonds9

About N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 30550443) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID30550443
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC NameN-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCCN(CC)CCNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H35N3O2/c1-3-23(4-2)8-7-21-18(24)5-6-22-19(25)20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,3-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyAWKYRIGVPGWVMA-UHFFFAOYSA-N
XLogP2.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 51175569
N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 55407932
(3R,6R)-N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 6345940
N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride
CID 5340149
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 31370044
2-(adamantane-1-carbonylamino)ethyl-diethylazanium
CID 4997383
N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 8570754
N-[3-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 56562547
1-[2-(diethylamino)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62095043
N-[3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]adamantane-1-carboxamide
CID 9483406
N-[2-(diethylamino)propyl]adamantane-1-carboxamide
CID 112502200

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide (CID 30550443) is N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide is CCN(CC)CCNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is AWKYRIGVPGWVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-3-23(4-2)8-7-21-18(24)5-6-22-19(25)20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,3-14H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 349.52 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 30550443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).