N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C21H24N2O2 — CID 658600

IUPACN-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3/t15-,20+/m1/s1
InChIKeyDRQJSDYVORTCEY-QRWLVFNGSA-N
MW336.44 g/mol
LogP4.32
Rot. Bonds3

About N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 658600) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID658600
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3/t15-,20+/m1/s1
InChIKeyDRQJSDYVORTCEY-QRWLVFNGSA-N
XLogP4.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 658600) is N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C.
What is the InChIKey of N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is DRQJSDYVORTCEY-QRWLVFNGSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3/t15-,20+/m1/s1.
What are the key properties of N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 336.44 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 658600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).