1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide

C20H28F3N3O3 — CID 10024863

IUPAC1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
SMILESCC(C)(O)C1(C(=O)NCc2cncc(C(F)(F)F)c2)CC(NC2CCOCC2)C1
InChIInChI=1S/C20H28F3N3O3/c1-18(2,28)19(8-16(9-19)26-15-3-5-29-6-4-15)17(27)25-11-13-7-14(12-24-10-13)20(21,22)23/h7,10,12,15-16,26,28H,3-6,8-9,11H2,1-2H3,(H,25,27)
InChIKeyNEYLYMMGEMLAML-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.40
Rot. Bonds6

About 1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide

1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide (PubChem CID 10024863) has the molecular formula C20H28F3N3O3 and a molecular weight of 415.46 g/mol. Its IUPAC name is 1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
PubChem CID10024863
Molecular FormulaC20H28F3N3O3
Molecular Weight415.46 g/mol
Exact Mass415.21
IUPAC Name1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
SMILESCC(C)(O)C1(C(=O)NCc2cncc(C(F)(F)F)c2)CC(NC2CCOCC2)C1
InChIInChI=1S/C20H28F3N3O3/c1-18(2,28)19(8-16(9-19)26-15-3-5-29-6-4-15)17(27)25-11-13-7-14(12-24-10-13)20(21,22)23/h7,10,12,15-16,26,28H,3-6,8-9,11H2,1-2H3,(H,25,27)
InChIKeyNEYLYMMGEMLAML-UHFFFAOYSA-N
XLogP2.40
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3-hydroxyoxan-4-yl)amino]-1-(2-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 59734993
(3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide
CID 58654164
N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-1-methylsulfonyl-3-(oxan-4-ylamino)cyclopentane-1-carboxamide
CID 70995797
(1R)-2-(2-hydroxypropan-2-yl)-4-(oxan-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 142976719
(1S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(oxan-4-ylamino)cyclopentane-1-carboxamide
CID 142976792
acetylene;cis-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(oxan-4-ylamino)cyclopentane-1-carboxamide;propane
CID 142976775
5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide
CID 166797262
cis-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(2-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 10144709
(1S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-(4-phenylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 59049976
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10028696
benzyl 4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-3-(oxan-4-ylamino)cyclopentyl]-4-hydroxypiperidine-1-carboxylate
CID 10462128
(3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3-methyloxan-4-yl)amino]-1-methylsulfonylcyclopentane-1-carboxamide
CID 59735087

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide (CID 10024863) is 1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide is CC(C)(O)C1(C(=O)NCc2cncc(C(F)(F)F)c2)CC(NC2CCOCC2)C1.
What is the InChIKey of 1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is NEYLYMMGEMLAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O3/c1-18(2,28)19(8-16(9-19)26-15-3-5-29-6-4-15)17(27)25-11-13-7-14(12-24-10-13)20(21,22)23/h7,10,12,15-16,26,28H,3-6,8-9,11H2,1-2H3,(H,25,27).
What are the key properties of 1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide?
1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropan-2-yl)-3-(oxan-4-ylamino)-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 10024863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).