2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide

C22H32N2O — CID 84990626

IUPAC2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(NC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C22H32N2O/c1-14(2)19-4-6-20(7-5-19)23-21(25)15(3)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h4-7,14-18,24H,8-13H2,1-3H3,(H,23,25)
InChIKeyCPCJSPZDJDOXIB-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.70
Rot. Bonds5

About 2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide

2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 84990626) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID84990626
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(NC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C22H32N2O/c1-14(2)19-4-6-20(7-5-19)23-21(25)15(3)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h4-7,14-18,24H,8-13H2,1-3H3,(H,23,25)
InChIKeyCPCJSPZDJDOXIB-UHFFFAOYSA-N
XLogP4.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(1-adamantylamino)-N-(4-bromophenyl)propanamide
CID 9358485
4-[[(2R)-2-(1-adamantylamino)propanoyl]amino]benzamide
CID 9358575
(2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide
CID 9358498
2-(methylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 60638794
N-[1-(4-methylanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 5229641
(2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide
CID 9358506
N-[(2R)-1-(4-iodoanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 29404544
1-adamantyl-(4-propan-2-ylphenyl)methanone
CID 43625037
2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 24641052
N-(1-adamantyl)-4-propan-2-ylbenzenesulfonamide
CID 19681548
(2R)-2-(1-adamantylamino)propanamide
CID 9358538
N-[(2S)-1-[4-(cyanomethyl)anilino]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 9260626

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide (CID 84990626) is 2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide is CC(NC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is CPCJSPZDJDOXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-14(2)19-4-6-20(7-5-19)23-21(25)15(3)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h4-7,14-18,24H,8-13H2,1-3H3,(H,23,25).
What are the key properties of 2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide?
2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 340.51 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 84990626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).