3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

C22H32N4O2 — CID 134017559

IUPAC3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N4O2/c1-26(9-6-19-4-2-3-7-23-19)20(27)5-8-24-21(28)25-22-13-16-10-17(14-22)12-18(11-16)15-22/h2-4,7,16-18H,5-6,8-15H2,1H3,(H2,24,25,28)
InChIKeyLGDQAEONBJWEHS-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.74
Rot. Bonds7

About 3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 134017559) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID134017559
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N4O2/c1-26(9-6-19-4-2-3-7-23-19)20(27)5-8-24-21(28)25-22-13-16-10-17(14-22)12-18(11-16)15-22/h2-4,7,16-18H,5-6,8-15H2,1H3,(H2,24,25,28)
InChIKeyLGDQAEONBJWEHS-UHFFFAOYSA-N
XLogP2.74
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 134017600
2-methyl-N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]benzamide
CID 134008685
3-(1-adamantyl)-1-methyl-1-(pyridin-2-ylmethyl)thiourea
CID 13414451
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
N-[3-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 55981551
1-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
CID 119873315
N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
CID 110661008
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309211
1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451209
2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111962799
3-(1-adamantyl)-1,1-bis(pyridin-2-ylmethyl)thiourea
CID 23736254
4-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]pentanamide
CID 120565270

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (CID 134017559) is 3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is CN(CCc1ccccn1)C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is LGDQAEONBJWEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-26(9-6-19-4-2-3-7-23-19)20(27)5-8-24-21(28)25-22-13-16-10-17(14-22)12-18(11-16)15-22/h2-4,7,16-18H,5-6,8-15H2,1H3,(H2,24,25,28).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 384.52 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 134017559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).