(2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide

C20H28N2O2 — CID 9358506

IUPAC(2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O2/c1-13(19(23)21-17-5-3-4-6-18(17)24-2)22-20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16,22H,7-12H2,1-2H3,(H,21,23)/t13-,14?,15?,16?,20?/m1/s1
InChIKeyMAJSZYSYPJOUKL-XXWNAHEMSA-N
MW328.46 g/mol
LogP3.58
Rot. Bonds5

About (2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide

(2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide (PubChem CID 9358506) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide
PubChem CID9358506
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O2/c1-13(19(23)21-17-5-3-4-6-18(17)24-2)22-20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16,22H,7-12H2,1-2H3,(H,21,23)/t13-,14?,15?,16?,20?/m1/s1
InChIKeyMAJSZYSYPJOUKL-XXWNAHEMSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea
CID 108866526
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(1-adamantyl)acetate
CID 7695474
(2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide
CID 40794639
2-(carbamoylamino)-N-(2-methoxyphenyl)propanamide
CID 47097666
(2S)-2-(1-adamantylamino)-N-(4-bromophenyl)propanamide
CID 9358485
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] adamantane-2-carboxylate
CID 8519609
2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029544
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] adamantane-1-carboxylate
CID 55417583
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
(5S,7R)-3-bromo-N-(2-methoxyphenyl)adamantane-1-carboxamide
CID 7732999
2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2-methoxyphenyl)propanamide
CID 42926288

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide (CID 9358506) is (2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@@H](C)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide?
The InChIKey is MAJSZYSYPJOUKL-XXWNAHEMSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13(19(23)21-17-5-3-4-6-18(17)24-2)22-20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16,22H,7-12H2,1-2H3,(H,21,23)/t13-,14?,15?,16?,20?/m1/s1.
What are the key properties of (2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide?
(2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide has a molecular weight of 328.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 9358506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).