N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide

C12H24N2O2 — CID 112633271

IUPACN-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC1CC(O)C1(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)11(16)14-6-5-13-9-7-10(15)12(9,3)4/h8-10,13,15H,5-7H2,1-4H3,(H,14,16)
InChIKeySUAMQFHIDRQOEL-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.51
Rot. Bonds5

About N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide

N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide (PubChem CID 112633271) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide
PubChem CID112633271
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC1CC(O)C1(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)11(16)14-6-5-13-9-7-10(15)12(9,3)4/h8-10,13,15H,5-7H2,1-4H3,(H,14,16)
InChIKeySUAMQFHIDRQOEL-UHFFFAOYSA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol
CID 104584797
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanamide
CID 114629418
2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol
CID 112633337
3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633105
2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol
CID 112633951
N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112633769
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide
CID 106658087
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 115977450
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutanamide
CID 114631068
3-(2-cyclopentylethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633763
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide
CID 80693383
N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide
CID 103952149

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide (CID 112633271) is N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC1CC(O)C1(C)C.
What is the InChIKey of N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide?
The InChIKey is SUAMQFHIDRQOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)11(16)14-6-5-13-9-7-10(15)12(9,3)4/h8-10,13,15H,5-7H2,1-4H3,(H,14,16).
What are the key properties of N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide?
N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 112633271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).