(2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide

C18H27N3O3 — CID 41397283

IUPAC(2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide
SMILESCOc1cc(N[C@H](C)C(=O)NCC(C)C)ccc1N1CCCC1=O
InChIInChI=1S/C18H27N3O3/c1-12(2)11-19-18(23)13(3)20-14-7-8-15(16(10-14)24-4)21-9-5-6-17(21)22/h7-8,10,12-13,20H,5-6,9,11H2,1-4H3,(H,19,23)/t13-/m1/s1
InChIKeyOSOCBSWBURYOIJ-CYBMUJFWSA-N
MW333.43 g/mol
LogP2.39
Rot. Bonds7

About (2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide

(2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide (PubChem CID 41397283) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide
PubChem CID41397283
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide
SMILESCOc1cc(N[C@H](C)C(=O)NCC(C)C)ccc1N1CCCC1=O
InChIInChI=1S/C18H27N3O3/c1-12(2)11-19-18(23)13(3)20-14-7-8-15(16(10-14)24-4)21-9-5-6-17(21)22/h7-8,10,12-13,20H,5-6,9,11H2,1-4H3,(H,19,23)/t13-/m1/s1
InChIKeyOSOCBSWBURYOIJ-CYBMUJFWSA-N
XLogP2.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 41397253
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
CID 41397114
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 41397393
N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 24614808
2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide
CID 42935065
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide
CID 119699423
N-(4-ethylphenyl)-2-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 55684188
(2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 41397353
N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493763
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide?
The IUPAC name of (2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide (CID 41397283) is (2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide is COc1cc(N[C@H](C)C(=O)NCC(C)C)ccc1N1CCCC1=O.
What is the InChIKey of (2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide?
The InChIKey is OSOCBSWBURYOIJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12(2)11-19-18(23)13(3)20-14-7-8-15(16(10-14)24-4)21-9-5-6-17(21)22/h7-8,10,12-13,20H,5-6,9,11H2,1-4H3,(H,19,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide?
(2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide has a molecular weight of 333.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 41397283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).