2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide

C28H38N4O4 — CID 73057534

IUPAC2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)C(C)(C)N(C)C)c1ncc(-c2cc3ccccc3n(C)c2=O)o1
InChIInChI=1S/C28H38N4O4/c1-7-20(33)14-9-8-10-15-22(30-27(35)28(2,3)31(4)5)25-29-18-24(36-25)21-17-19-13-11-12-16-23(19)32(6)26(21)34/h11-13,16-18,22H,7-10,14-15H2,1-6H3,(H,30,35)/t22-/m0/s1
InChIKeyMCWRMZOESCOBDK-QFIPXVFZSA-N
MW494.64 g/mol
LogP4.62
Rot. Bonds12

About 2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide

2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide (PubChem CID 73057534) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide
PubChem CID73057534
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Name2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)C(C)(C)N(C)C)c1ncc(-c2cc3ccccc3n(C)c2=O)o1
InChIInChI=1S/C28H38N4O4/c1-7-20(33)14-9-8-10-15-22(30-27(35)28(2,3)31(4)5)25-29-18-24(36-25)21-17-19-13-11-12-16-23(19)32(6)26(21)34/h11-13,16-18,22H,7-10,14-15H2,1-6H3,(H,30,35)/t22-/m0/s1
InChIKeyMCWRMZOESCOBDK-QFIPXVFZSA-N
XLogP4.62
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide
CID 118275137
N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide
CID 118275139
dimethyl-[2-methyl-1-[[(1S)-1-(5-naphthalen-2-yl-1,3-oxazol-2-yl)-7-oxononyl]amino]-1-oxopropan-2-yl]azanium;2,2,2-trifluoroacetate
CID 87331646
1-methyl-N-[(1S)-7-oxo-1-[5-(2-oxo-1H-quinolin-3-yl)-1,3-oxazol-2-yl]nonyl]azetidine-3-carboxamide
CID 73054597
3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]propanamide
CID 73053736
N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide
CID 73058110
(2S,4S)-4-fluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylpyrrolidine-2-carboxamide
CID 73055143
2-chloro-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide
CID 118275081
2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide
CID 123615842
1-methyl-N-[(1S)-1-[5-[4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]azetidine-3-carboxamide
CID 90071003
3-(4-hydroxypiperidin-4-yl)-2-imino-N-[(1S)-1-[5-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide
CID 162506568
N-methyl-N-[(1S)-7-oxo-1-[5-(2-oxo-1H-quinolin-3-yl)-1,3-oxazol-2-yl]nonyl]azetidine-3-carboxamide
CID 90036660

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide?
The IUPAC name of 2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide (CID 73057534) is 2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide?
The canonical SMILES for 2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide is CCC(=O)CCCCC[C@H](NC(=O)C(C)(C)N(C)C)c1ncc(-c2cc3ccccc3n(C)c2=O)o1.
What is the InChIKey of 2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide?
The InChIKey is MCWRMZOESCOBDK-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-7-20(33)14-9-8-10-15-22(30-27(35)28(2,3)31(4)5)25-29-18-24(36-25)21-17-19-13-11-12-16-23(19)32(6)26(21)34/h11-13,16-18,22H,7-10,14-15H2,1-6H3,(H,30,35)/t22-/m0/s1.
What are the key properties of 2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide?
2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide has a molecular weight of 494.64 g/mol, XLogP of 4.62, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide is sourced from PubChem (CID 73057534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).