4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide

C16H24N2O2 — CID 114629642

IUPAC4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide
SMILESCC1(C)C(O)CC1NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(2)13(10-14(16)19)18-15(20)9-8-12(17)11-6-4-3-5-7-11/h3-7,12-14,19H,8-10,17H2,1-2H3,(H,18,20)
InChIKeyRBJRYMUDTJIJOS-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.74
Rot. Bonds5

About 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide

4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide (PubChem CID 114629642) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide
PubChem CID114629642
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide
SMILESCC1(C)C(O)CC1NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(2)13(10-14(16)19)18-15(20)9-8-12(17)11-6-4-3-5-7-11/h3-7,12-14,19H,8-10,17H2,1-2H3,(H,18,20)
InChIKeyRBJRYMUDTJIJOS-UHFFFAOYSA-N
XLogP1.74
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide
CID 107222076
4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324217
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide
CID 79377333
4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide
CID 63323965
4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324219
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 114630480
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid
CID 112633963
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutanamide
CID 114631068
4-amino-N-(oxan-3-yl)-4-phenylbutanamide
CID 63363689
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 104940471
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 114629316

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide (CID 114629642) is 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide is CC1(C)C(O)CC1NC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide?
The InChIKey is RBJRYMUDTJIJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)13(10-14(16)19)18-15(20)9-8-12(17)11-6-4-3-5-7-11/h3-7,12-14,19H,8-10,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide?
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide has a molecular weight of 276.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide is sourced from PubChem (CID 114629642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).