N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide

C23H35N3O2 — CID 42711941

IUPACN-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide
SMILESCCCCCCN(C(=O)C(C)(C)C)C(CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C23H35N3O2/c1-7-9-10-13-16-26(22(28)23(3,4)5)19(8-2)20-24-18-15-12-11-14-17(18)21(27)25(20)6/h11-12,14-15,19H,7-10,13,16H2,1-6H3
InChIKeyOQDNRDFARBIKCK-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.84
Rot. Bonds8

About N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide

N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide (PubChem CID 42711941) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide.

Molecular Properties

Compound NameN-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide
PubChem CID42711941
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide
SMILESCCCCCCN(C(=O)C(C)(C)C)C(CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C23H35N3O2/c1-7-9-10-13-16-26(22(28)23(3,4)5)19(8-2)20-24-18-15-12-11-14-17(18)21(27)25(20)6/h11-12,14-15,19H,7-10,13,16H2,1-6H3
InChIKeyOQDNRDFARBIKCK-UHFFFAOYSA-N
XLogP4.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide
CID 42717679
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
CID 42717824
N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42711871
1-hexyl-3-(2-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42713559
N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
CID 42711596
(2R)-2-ethyl-N-(3-methylbutyl)-N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 7239016
N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2,2-dimethylpropanamide
CID 42717165
3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42711191
(2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide
CID 7361866
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide
CID 42713720
N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide
CID 42711907
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]pentanamide
CID 42713712

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide?
The IUPAC name of N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide (CID 42711941) is N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide.
What is the SMILES notation for N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide?
The canonical SMILES for N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide is CCCCCCN(C(=O)C(C)(C)C)C(CC)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide?
The InChIKey is OQDNRDFARBIKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-7-9-10-13-16-26(22(28)23(3,4)5)19(8-2)20-24-18-15-12-11-14-17(18)21(27)25(20)6/h11-12,14-15,19H,7-10,13,16H2,1-6H3.
What are the key properties of N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide?
N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide has a molecular weight of 385.55 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide is sourced from PubChem (CID 42711941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).