N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide

C17H26N2O2 — CID 95906524

IUPACN-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide
SMILESCO[C@@]1(C)C[C@@H](NC(=O)CCCc2ccccn2)C1(C)C
InChIInChI=1S/C17H26N2O2/c1-16(2)14(12-17(16,3)21-4)19-15(20)10-7-9-13-8-5-6-11-18-13/h5-6,8,11,14H,7,9-10,12H2,1-4H3,(H,19,20)/t14-,17+/m1/s1
InChIKeyXMXXHOJRSJZTJN-PBHICJAKSA-N
MW290.41 g/mol
LogP2.72
Rot. Bonds6

About N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide

N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide (PubChem CID 95906524) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide
PubChem CID95906524
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide
SMILESCO[C@@]1(C)C[C@@H](NC(=O)CCCc2ccccn2)C1(C)C
InChIInChI=1S/C17H26N2O2/c1-16(2)14(12-17(16,3)21-4)19-15(20)10-7-9-13-8-5-6-11-18-13/h5-6,8,11,14H,7,9-10,12H2,1-4H3,(H,19,20)/t14-,17+/m1/s1
InChIKeyXMXXHOJRSJZTJN-PBHICJAKSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide
CID 120611761
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111756925
2-(3-methoxy-2-pyridinyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide
CID 129432564
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 95899176
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
N-[4-[[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 95906540
4-pyridin-2-yl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butanamide
CID 95762622
3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 11161308
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide
CID 11173396
2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide
CID 99631339

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide?
The IUPAC name of N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide (CID 95906524) is N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide.
What is the SMILES notation for N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide?
The canonical SMILES for N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide is CO[C@@]1(C)C[C@@H](NC(=O)CCCc2ccccn2)C1(C)C.
What is the InChIKey of N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide?
The InChIKey is XMXXHOJRSJZTJN-PBHICJAKSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2)14(12-17(16,3)21-4)19-15(20)10-7-9-13-8-5-6-11-18-13/h5-6,8,11,14H,7,9-10,12H2,1-4H3,(H,19,20)/t14-,17+/m1/s1.
What are the key properties of N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide?
N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide is sourced from PubChem (CID 95906524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).