(2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide

C23H35N3O2 — CID 7361866

IUPAC(2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide
SMILESCCCC[C@@H](CC)C(=O)N(CCCC)[C@H](C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C23H35N3O2/c1-6-9-13-18(8-3)22(27)26(16-10-7-2)17(4)21-24-20-15-12-11-14-19(20)23(28)25(21)5/h11-12,14-15,17-18H,6-10,13,16H2,1-5H3/t17-,18-/m1/s1
InChIKeyAPMPWFVLRQZHIU-QZTJIDSGSA-N
MW385.55 g/mol
LogP4.84
Rot. Bonds10

About (2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide

(2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide (PubChem CID 7361866) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is (2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide.

Molecular Properties

Compound Name(2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide
PubChem CID7361866
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name(2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide
SMILESCCCC[C@@H](CC)C(=O)N(CCCC)[C@H](C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C23H35N3O2/c1-6-9-13-18(8-3)22(27)26(16-10-7-2)17(4)21-24-20-15-12-11-14-19(20)23(28)25(21)5/h11-12,14-15,17-18H,6-10,13,16H2,1-5H3/t17-,18-/m1/s1
InChIKeyAPMPWFVLRQZHIU-QZTJIDSGSA-N
XLogP4.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide with MolForge

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Related Compounds

(2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 7239016
N-butyl-2-ethyl-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide
CID 42716087
N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
CID 42711596
(E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide
CID 42711527
N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 42711517
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515
N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
CID 42711556
3-butyl-1-[2-(dimethylamino)ethyl]-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea
CID 42714274
N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide
CID 42711941
N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42711871
N-ethyl-3,3-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
CID 42711283
3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713300

Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide?
The IUPAC name of (2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide (CID 7361866) is (2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide.
What is the SMILES notation for (2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide?
The canonical SMILES for (2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide is CCCC[C@@H](CC)C(=O)N(CCCC)[C@H](C)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of (2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide?
The InChIKey is APMPWFVLRQZHIU-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-6-9-13-18(8-3)22(27)26(16-10-7-2)17(4)21-24-20-15-12-11-14-19(20)23(28)25(21)5/h11-12,14-15,17-18H,6-10,13,16H2,1-5H3/t17-,18-/m1/s1.
What are the key properties of (2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide?
(2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide has a molecular weight of 385.55 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide is sourced from PubChem (CID 7361866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).