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

C25H39N3O2 — CID 7239016

IUPAC(2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide
SMILESCCCC[C@@H](CC)C(=O)N(CCC(C)C)[C@@H](CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C25H39N3O2/c1-7-10-13-19(8-2)24(29)28(17-16-18(4)5)22(9-3)23-26-21-15-12-11-14-20(21)25(30)27(23)6/h11-12,14-15,18-19,22H,7-10,13,16-17H2,1-6H3/t19-,22+/m1/s1
InChIKeyOKHKCGSJAPMMOY-KNQAVFIVSA-N
MW413.61 g/mol
LogP5.48
Rot. Bonds11

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

(2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide (PubChem CID 7239016) has the molecular formula C25H39N3O2 and a molecular weight of 413.61 g/mol. Its IUPAC name is (2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide
PubChem CID7239016
Molecular FormulaC25H39N3O2
Molecular Weight413.61 g/mol
Exact Mass413.30
IUPAC Name(2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide
SMILESCCCC[C@@H](CC)C(=O)N(CCC(C)C)[C@@H](CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C25H39N3O2/c1-7-10-13-19(8-2)24(29)28(17-16-18(4)5)22(9-3)23-26-21-15-12-11-14-20(21)25(30)27(23)6/h11-12,14-15,18-19,22H,7-10,13,16-17H2,1-6H3/t19-,22+/m1/s1
InChIKeyOKHKCGSJAPMMOY-KNQAVFIVSA-N
XLogP5.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide
CID 7361866
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-butyl-2-ethyl-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide
CID 42716087
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide
CID 42717022
2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide
CID 42717679
N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42717045
N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]hexanamide
CID 42717885
3-chloro-2,2-dimethyl-N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide
CID 42717051
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
CID 42717824
3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42711191
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)nonanamide
CID 42718901

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide?
The IUPAC name of (2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide (CID 7239016) is (2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide.
What is the SMILES notation for (2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide?
The canonical SMILES for (2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide is CCCC[C@@H](CC)C(=O)N(CCC(C)C)[C@@H](CC)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of (2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide?
The InChIKey is OKHKCGSJAPMMOY-KNQAVFIVSA-N. The full InChI is InChI=1S/C25H39N3O2/c1-7-10-13-19(8-2)24(29)28(17-16-18(4)5)22(9-3)23-26-21-15-12-11-14-20(21)25(30)27(23)6/h11-12,14-15,18-19,22H,7-10,13,16-17H2,1-6H3/t19-,22+/m1/s1.
What are the key properties of (2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide?
(2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide has a molecular weight of 413.61 g/mol, XLogP of 5.48, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide is sourced from PubChem (CID 7239016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).