N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide

C18H29NO3 — CID 110369811

IUPACN-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide
SMILESCC1(CCNC(=O)C23CC4CC(CC(C4)C2)C3)OCCCO1
InChIInChI=1S/C18H29NO3/c1-17(21-5-2-6-22-17)3-4-19-16(20)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,2-12H2,1H3,(H,19,20)
InChIKeyHEYIMECGKUIZRO-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.86
Rot. Bonds4

About N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide

N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide (PubChem CID 110369811) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide
PubChem CID110369811
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC NameN-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide
SMILESCC1(CCNC(=O)C23CC4CC(CC(C4)C2)C3)OCCCO1
InChIInChI=1S/C18H29NO3/c1-17(21-5-2-6-22-17)3-4-19-16(20)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,2-12H2,1H3,(H,19,20)
InChIKeyHEYIMECGKUIZRO-UHFFFAOYSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]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
Methyl 4-{[(adamantan-1-yl)formamido]methyl}piperidine-1-carboxylate
CID 49688791
2-(Adamantane-1-carbonyl)-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 71789555
2-(1-adamantyl)-N-(3-ethoxypropyl)acetamide
CID 46997421
1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 52721085
Ethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate
CID 57481268
n-(4,4-Diethoxybutyl)adamantylcarboxamide
CID 66937514
N-(oxan-4-yl)adamantane-1-carboxamide
CID 110726845
2-(1-adamantyl)-N-(2,2-diethoxyethyl)acetamide
CID 127110273
Tert-butyl 3-(adamantane-1-carbonylamino)propanoate
CID 146605544
2-(1-adamantyl)-N-(2-propan-2-yloxyethyl)acetamide
CID 171725795
2-(1-adamantyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 171725812

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide (CID 110369811) is N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide is CC1(CCNC(=O)C23CC4CC(CC(C4)C2)C3)OCCCO1.
What is the InChIKey of N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is HEYIMECGKUIZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-17(21-5-2-6-22-17)3-4-19-16(20)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,2-12H2,1H3,(H,19,20).
What are the key properties of N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide?
N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 307.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 110369811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).