2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide

C16H24N2O2 — CID 114629421

IUPAC2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-10-5-7-12(8-6-10)18-15(20)11(2)17-13-9-14(19)16(13,3)4/h5-8,11,13-14,17,19H,9H2,1-4H3,(H,18,20)
InChIKeyUUAXJRMKWYWTBZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.07
Rot. Bonds4

About 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide

2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide (PubChem CID 114629421) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide
PubChem CID114629421
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-10-5-7-12(8-6-10)18-15(20)11(2)17-13-9-14(19)16(13,3)4/h5-8,11,13-14,17,19H,9H2,1-4H3,(H,18,20)
InChIKeyUUAXJRMKWYWTBZ-UHFFFAOYSA-N
XLogP2.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-N-(4-methylphenyl)propanamide
CID 60638669
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112633408
2-(cyclopentylamino)-N-(4-methylphenyl)propanamide
CID 60638781
2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide
CID 64744033
methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 103948463
N-[1-(4-methylanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 5229641
2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide
CID 60714008
2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide
CID 103734805
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
(2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide
CID 7447577
2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide
CID 103581201
N-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide
CID 115977543

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide (CID 114629421) is 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)NC2CC(O)C2(C)C)cc1.
What is the InChIKey of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide?
The InChIKey is UUAXJRMKWYWTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-5-7-12(8-6-10)18-15(20)11(2)17-13-9-14(19)16(13,3)4/h5-8,11,13-14,17,19H,9H2,1-4H3,(H,18,20).
What are the key properties of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide?
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 114629421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).