N-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide

C24H29N3O3 — CID 19167687

IUPACN-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
SMILESCCC(C)C(C(=O)Nc1ccc(N(CC)CC)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H29N3O3/c1-5-16(4)21(27-23(29)19-10-8-9-11-20(19)24(27)30)22(28)25-17-12-14-18(15-13-17)26(6-2)7-3/h8-16,21H,5-7H2,1-4H3,(H,25,28)
InChIKeyGYPFQYMPGDHKHH-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.18
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide

N-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide (PubChem CID 19167687) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
PubChem CID19167687
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
SMILESCCC(C)C(C(=O)Nc1ccc(N(CC)CC)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H29N3O3/c1-5-16(4)21(27-23(29)19-10-8-9-11-20(19)24(27)30)22(28)25-17-12-14-18(15-13-17)26(6-2)7-3/h8-16,21H,5-7H2,1-4H3,(H,25,28)
InChIKeyGYPFQYMPGDHKHH-UHFFFAOYSA-N
XLogP4.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-N-(3-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
CID 7783028
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide
CID 108737757
(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoic acid
CID 774771
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
CID 19176296
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-3-methylbutanamide
CID 680589
N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
CID 84873355
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-methylsulfanylphenyl)butanamide
CID 134124262
4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide
CID 978515
4-[[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzamide
CID 978517
propan-2-yl 4-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzoate
CID 2789060
2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide
CID 84873550
(2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-quinolin-8-ylpentanamide
CID 11846431

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide (CID 19167687) is N-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide is CCC(C)C(C(=O)Nc1ccc(N(CC)CC)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
The InChIKey is GYPFQYMPGDHKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-5-16(4)21(27-23(29)19-10-8-9-11-20(19)24(27)30)22(28)25-17-12-14-18(15-13-17)26(6-2)7-3/h8-16,21H,5-7H2,1-4H3,(H,25,28).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
N-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide has a molecular weight of 407.51 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide is sourced from PubChem (CID 19167687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).