3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide

C26H35N5O3 — CID 55453691

IUPAC3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCOc1ccccc1C(NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1nccn1C
InChIInChI=1S/C26H35N5O3/c1-31-10-9-27-24(31)23(20-5-3-4-6-21(20)34-2)29-22(32)7-8-28-25(33)30-26-14-17-11-18(15-26)13-19(12-17)16-26/h3-6,9-10,17-19,23H,7-8,11-16H2,1-2H3,(H,29,32)(H2,28,30,33)
InChIKeyKQUTXUMCOZQZLA-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.29
Rot. Bonds8

About 3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide

3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 55453691) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID55453691
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCOc1ccccc1C(NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1nccn1C
InChIInChI=1S/C26H35N5O3/c1-31-10-9-27-24(31)23(20-5-3-4-6-21(20)34-2)29-22(32)7-8-28-25(33)30-26-14-17-11-18(15-26)13-19(12-17)16-26/h3-6,9-10,17-19,23H,7-8,11-16H2,1-2H3,(H,29,32)(H2,28,30,33)
InChIKeyKQUTXUMCOZQZLA-UHFFFAOYSA-N
XLogP3.29
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide 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-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide
CID 24660525
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735
N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94092667
1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55597981
3-(3-but-3-ynyldiazirin-3-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 166417619
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55453424
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide
CID 55824006
2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269495
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 51269487
2-(3-hydroxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 86865733

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 55453691) is 3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is COc1ccccc1C(NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1nccn1C.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is KQUTXUMCOZQZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-31-10-9-27-24(31)23(20-5-3-4-6-21(20)34-2)29-22(32)7-8-28-25(33)30-26-14-17-11-18(15-26)13-19(12-17)16-26/h3-6,9-10,17-19,23H,7-8,11-16H2,1-2H3,(H,29,32)(H2,28,30,33).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 465.60 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 55453691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).