N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide

C24H31N3O2 — CID 126424742

IUPACN-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide
SMILESCC1(C)C[C@@](CCNC(=O)N2CC(c3ccncc3)C2)(c2ccccc2)CCO1
InChIInChI=1S/C24H31N3O2/c1-23(2)18-24(11-15-29-23,21-6-4-3-5-7-21)10-14-26-22(28)27-16-20(17-27)19-8-12-25-13-9-19/h3-9,12-13,20H,10-11,14-18H2,1-2H3,(H,26,28)/t24-/m0/s1
InChIKeySACZTVDTMJUODF-DEOSSOPVSA-N
MW393.53 g/mol
LogP4.11
Rot. Bonds5

About N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide

N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide (PubChem CID 126424742) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide
PubChem CID126424742
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide
SMILESCC1(C)C[C@@](CCNC(=O)N2CC(c3ccncc3)C2)(c2ccccc2)CCO1
InChIInChI=1S/C24H31N3O2/c1-23(2)18-24(11-15-29-23,21-6-4-3-5-7-21)10-14-26-22(28)27-16-20(17-27)19-8-12-25-13-9-19/h3-9,12-13,20H,10-11,14-18H2,1-2H3,(H,26,28)/t24-/m0/s1
InChIKeySACZTVDTMJUODF-DEOSSOPVSA-N
XLogP4.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide with MolForge

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Related Compounds

N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-pyridin-4-ylazetidine-1-carboxamide
CID 126442996
1-amino-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]cyclopropane-1-carboxamide
CID 56861115
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]pyrazine-2-carboxamide
CID 90653265
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-propan-2-ylsulfanylacetamide
CID 126438751
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 77083886
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 56708996
3-benzyl-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 45197694
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 99928565
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 99939846
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99950061
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]benzenesulfonamide
CID 1076269
3-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]benzoic acid
CID 53388189

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide?
The IUPAC name of N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide (CID 126424742) is N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide.
What is the SMILES notation for N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide?
The canonical SMILES for N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide is CC1(C)C[C@@](CCNC(=O)N2CC(c3ccncc3)C2)(c2ccccc2)CCO1.
What is the InChIKey of N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide?
The InChIKey is SACZTVDTMJUODF-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-23(2)18-24(11-15-29-23,21-6-4-3-5-7-21)10-14-26-22(28)27-16-20(17-27)19-8-12-25-13-9-19/h3-9,12-13,20H,10-11,14-18H2,1-2H3,(H,26,28)/t24-/m0/s1.
What are the key properties of N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide?
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-pyridin-4-ylazetidine-1-carboxamide is sourced from PubChem (CID 126424742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).