4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide

C24H29N3O4 — CID 46535547

IUPAC4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C(C)C)cc1
InChIInChI=1S/C24H29N3O4/c1-16(2)21(26-22(28)17-8-12-20(31-3)13-9-17)23(29)25-19-10-6-18(7-11-19)24(30)27-14-4-5-15-27/h6-13,16,21H,4-5,14-15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyMTWBSAXPUPGQDY-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.32
Rot. Bonds7

About 4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide

4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide (PubChem CID 46535547) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide
PubChem CID46535547
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C(C)C)cc1
InChIInChI=1S/C24H29N3O4/c1-16(2)21(26-22(28)17-8-12-20(31-3)13-9-17)23(29)25-19-10-6-18(7-11-19)24(30)27-14-4-5-15-27/h6-13,16,21H,4-5,14-15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyMTWBSAXPUPGQDY-UHFFFAOYSA-N
XLogP3.32
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 55342319
N-[1-[4-(azepane-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55991059
2-(4-methoxyphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196356
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
CID 4852669
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
N-[1-[4-(cyclopropylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55531749
N-[1-(4-chloro-3-pyrrolidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55329184
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
N-[1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 42909230
4-chloro-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]-3-nitrobenzamide
CID 24657544
4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide
CID 47092664

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide (CID 46535547) is 4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide is COc1ccc(C(=O)NC(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide?
The InChIKey is MTWBSAXPUPGQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16(2)21(26-22(28)17-8-12-20(31-3)13-9-17)23(29)25-19-10-6-18(7-11-19)24(30)27-14-4-5-15-27/h6-13,16,21H,4-5,14-15H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide?
4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide has a molecular weight of 423.51 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide is sourced from PubChem (CID 46535547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).