2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate

C24H26ClN3O2 — CID 91108834

IUPAC2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate
SMILESCC(C)(C)COC(=O)NC(c1ccc(Cl)cc1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C24H26ClN3O2/c1-24(2,3)16-30-23(29)28-22(17-8-10-20(25)11-9-17)21(18-6-4-12-26-14-18)19-7-5-13-27-15-19/h4-15,21-22H,16H2,1-3H3,(H,28,29)
InChIKeyFZGKIQFEPNXHCF-UHFFFAOYSA-N
MW423.94 g/mol
LogP5.78
Rot. Bonds6

About 2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate

2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate (PubChem CID 91108834) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate
PubChem CID91108834
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate
SMILESCC(C)(C)COC(=O)NC(c1ccc(Cl)cc1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C24H26ClN3O2/c1-24(2,3)16-30-23(29)28-22(17-8-10-20(25)11-9-17)21(18-6-4-12-26-14-18)19-7-5-13-27-15-19/h4-15,21-22H,16H2,1-3H3,(H,28,29)
InChIKeyFZGKIQFEPNXHCF-UHFFFAOYSA-N
XLogP5.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.94
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate 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

1-chloro-4-propan-2-ylbenzene;2,2-dimethylpropyl N-propan-2-ylcarbamate;methane;yttrium
CID 160801795
2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide
CID 60717480
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
2,2,2-trifluoroethyl N-[1-(4-chlorophenyl)ethyl]carbamate
CID 65173896
2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide
CID 92500199
phenyl (2S,3S)-3-(4-chlorophenyl)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 142440889
methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate
CID 45139943
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide
CID 20897097
methyl (2R,3S)-2-hydroxy-3-phenyl-3-(2,2,2-trichloroethoxycarbonylamino)propanoate
CID 11545199
4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43396829
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate?
The IUPAC name of 2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate (CID 91108834) is 2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate is CC(C)(C)COC(=O)NC(c1ccc(Cl)cc1)C(c1cccnc1)c1cccnc1.
What is the InChIKey of 2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate?
The InChIKey is FZGKIQFEPNXHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-24(2,3)16-30-23(29)28-22(17-8-10-20(25)11-9-17)21(18-6-4-12-26-14-18)19-7-5-13-27-15-19/h4-15,21-22H,16H2,1-3H3,(H,28,29).
What are the key properties of 2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate?
2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate has a molecular weight of 423.94 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamate is sourced from PubChem (CID 91108834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).