N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide

C22H31N3O3 — CID 167071320

IUPACN-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide
SMILESC=C(CCC(C)CCC)CC(=O)Nc1cccc(NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C22H31N3O3/c1-4-6-15(2)9-10-16(3)13-21(27)24-18-8-5-7-17(14-18)23-19-11-12-20(26)25-22(19)28/h5,7-8,14-15,19,23H,3-4,6,9-13H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyQUMJOBNKRZEICY-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.00
Rot. Bonds10

About N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide

N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide (PubChem CID 167071320) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide.

Molecular Properties

Compound NameN-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide
PubChem CID167071320
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide
SMILESC=C(CCC(C)CCC)CC(=O)Nc1cccc(NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C22H31N3O3/c1-4-6-15(2)9-10-16(3)13-21(27)24-18-8-5-7-17(14-18)23-19-11-12-20(26)25-22(19)28/h5,7-8,14-15,19,23H,3-4,6,9-13H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyQUMJOBNKRZEICY-UHFFFAOYSA-N
XLogP4.00
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide
CID 170042265
2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
CID 162504384
3-(3-acetylanilino)piperidine-2,6-dione;ethane
CID 170751142
ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483
3-(3-hydroxyanilino)piperidine-2,6-dione
CID 170904961
(3R)-4-[2-[3-[(2,6-dioxopiperidin-3-yl)amino]anilino]-2-oxoethyl]-3-(trifluoromethyl)piperazine-1-carboxylic acid
CID 175394761
3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane
CID 169082326
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazine-1-carboxylate
CID 146573080
3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane
CID 170749493
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
ethane;3-[3-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]anilino]piperidine-2,6-dione
CID 166468015

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide?
The IUPAC name of N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide (CID 167071320) is N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide.
What is the SMILES notation for N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide?
The canonical SMILES for N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide is C=C(CCC(C)CCC)CC(=O)Nc1cccc(NC2CCC(=O)NC2=O)c1.
What is the InChIKey of N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide?
The InChIKey is QUMJOBNKRZEICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-4-6-15(2)9-10-16(3)13-21(27)24-18-8-5-7-17(14-18)23-19-11-12-20(26)25-22(19)28/h5,7-8,14-15,19,23H,3-4,6,9-13H2,1-2H3,(H,24,27)(H,25,26,28).
What are the key properties of N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide?
N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide has a molecular weight of 385.51 g/mol, XLogP of 4.00, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide is sourced from PubChem (CID 167071320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).