N-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide

C20H29N3O3 — CID 131909097

IUPACN-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCc1ccc(NC(=O)CCCN2CCCCC2=O)cc1NC(=O)C(C)C
InChIInChI=1S/C20H29N3O3/c1-14(2)20(26)22-17-13-16(10-9-15(17)3)21-18(24)7-6-12-23-11-5-4-8-19(23)25/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,21,24)(H,22,26)
InChIKeySLOHYKPEHFTPMZ-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.32
Rot. Bonds7

About N-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide

N-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide (PubChem CID 131909097) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide
PubChem CID131909097
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCc1ccc(NC(=O)CCCN2CCCCC2=O)cc1NC(=O)C(C)C
InChIInChI=1S/C20H29N3O3/c1-14(2)20(26)22-17-13-16(10-9-15(17)3)21-18(24)7-6-12-23-11-5-4-8-19(23)25/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,21,24)(H,22,26)
InChIKeySLOHYKPEHFTPMZ-UHFFFAOYSA-N
XLogP3.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 16794289
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide
CID 29268617
N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 91760078
(3S)-N-(4-methoxyphenyl)-3-[3-(2-oxoazepan-1-yl)propylamino]butanamide
CID 39966014
N-(3-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide
CID 29298836
2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide
CID 87002042
2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 47041621
N-(3,4-dimethylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18160401
2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
CID 46485889
2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide
CID 47041609
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide
CID 55762912

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide?
The IUPAC name of N-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide (CID 131909097) is N-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for N-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for N-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide is Cc1ccc(NC(=O)CCCN2CCCCC2=O)cc1NC(=O)C(C)C.
What is the InChIKey of N-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide?
The InChIKey is SLOHYKPEHFTPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)20(26)22-17-13-16(10-9-15(17)3)21-18(24)7-6-12-23-11-5-4-8-19(23)25/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,21,24)(H,22,26).
What are the key properties of N-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide?
N-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide has a molecular weight of 359.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 131909097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).