3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide

C23H32N2O3 — CID 42887045

IUPAC3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCC23CC4CC(CC(C4)C2)C3)NC(C)=O)cc1
InChIInChI=1S/C23H32N2O3/c1-15(26)25-21(19-3-5-20(28-2)6-4-19)10-22(27)24-14-23-11-16-7-17(12-23)9-18(8-16)13-23/h3-6,16-18,21H,7-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyGWHKHBLPFLFOIB-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.60
Rot. Bonds7

About 3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide

3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 42887045) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide
PubChem CID42887045
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCC23CC4CC(CC(C4)C2)C3)NC(C)=O)cc1
InChIInChI=1S/C23H32N2O3/c1-15(26)25-21(19-3-5-20(28-2)6-4-19)10-22(27)24-14-23-11-16-7-17(12-23)9-18(8-16)13-23/h3-6,16-18,21H,7-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyGWHKHBLPFLFOIB-UHFFFAOYSA-N
XLogP3.60
TPSA67.43 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 ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
CID 51622723
N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 7799897
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 32686708
3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide
CID 134021990
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide
CID 95133505
3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134057816
N-(1-adamantylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 51570177
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 86906508
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide (CID 42887045) is 3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(C(CC(=O)NCC23CC4CC(CC(C4)C2)C3)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is GWHKHBLPFLFOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-15(26)25-21(19-3-5-20(28-2)6-4-19)10-22(27)24-14-23-11-16-7-17(12-23)9-18(8-16)13-23/h3-6,16-18,21H,7-14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide?
3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 384.52 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 42887045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).