2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide

C16H18Cl3N3O — CID 1132301

IUPAC2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)N[C@@H](Nc1cccc2cccnc12)C(Cl)(Cl)Cl
InChIInChI=1S/C16H18Cl3N3O/c1-15(2,3)14(23)22-13(16(17,18)19)21-11-8-4-6-10-7-5-9-20-12(10)11/h4-9,13,21H,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyWVXWVLDNRMVICQ-CYBMUJFWSA-N
MW374.70 g/mol
LogP4.51
Rot. Bonds3

About 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide

2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide (PubChem CID 1132301) has the molecular formula C16H18Cl3N3O and a molecular weight of 374.70 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide
PubChem CID1132301
Molecular FormulaC16H18Cl3N3O
Molecular Weight374.70 g/mol
Exact Mass373.05
IUPAC Name2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)N[C@@H](Nc1cccc2cccnc12)C(Cl)(Cl)Cl
InChIInChI=1S/C16H18Cl3N3O/c1-15(2,3)14(23)22-13(16(17,18)19)21-11-8-4-6-10-7-5-9-20-12(10)11/h4-9,13,21H,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyWVXWVLDNRMVICQ-CYBMUJFWSA-N
XLogP4.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.70
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]butanamide
CID 7024551
N-[2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]butanamide
CID 2830547
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
2-methyl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]propanamide
CID 2830528
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
2-methyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]benzamide
CID 1380207
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
2-phenyl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]acetamide
CID 3094500
2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 170781883
2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
CID 132522019
2,2-dimethyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 132571622
[2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate
CID 177454092

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide (CID 1132301) is 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide is CC(C)(C)C(=O)N[C@@H](Nc1cccc2cccnc12)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide?
The InChIKey is WVXWVLDNRMVICQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18Cl3N3O/c1-15(2,3)14(23)22-13(16(17,18)19)21-11-8-4-6-10-7-5-9-20-12(10)11/h4-9,13,21H,1-3H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide?
2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide has a molecular weight of 374.70 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylamino)ethyl]propanamide is sourced from PubChem (CID 1132301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).