N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide

C20H34N2O4 — CID 55407932

IUPACN-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCOCCOCCCNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H34N2O4/c1-25-7-8-26-6-2-4-21-18(23)3-5-22-19(24)20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,2-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyMCUNLGDALTUVJR-UHFFFAOYSA-N
MW366.50 g/mol
LogP1.88
Rot. Bonds11

About N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 55407932) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID55407932
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC NameN-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCOCCOCCCNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H34N2O4/c1-25-7-8-26-6-2-4-21-18(23)3-5-22-19(24)20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,2-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyMCUNLGDALTUVJR-UHFFFAOYSA-N
XLogP1.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)adamantane-1-carboxamide
CID 2805242
N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 30550443
N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 51175569
2-(azetidin-3-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 64609560
N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide
CID 3221023
N-[3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]adamantane-1-carboxamide
CID 9483406
N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359
7-(adamantane-1-carbonylamino)heptanoic acid
CID 71700197
N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide
CID 43596349
4-amino-N-[3-(2-methoxyethoxy)propyl]butanamide;hydrochloride
CID 119273607
N-(4-iodobutyl)adamantane-1-carboxamide
CID 106846336
N-(2-methoxyethoxy)adamantane-1-carboxamide
CID 110642715

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide (CID 55407932) is N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide is COCCOCCCNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is MCUNLGDALTUVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-25-7-8-26-6-2-4-21-18(23)3-5-22-19(24)20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,2-14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 366.50 g/mol, XLogP of 1.88, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 55407932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).