4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide

C26H24N2O4 — CID 3842537

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide
SMILESCOc1ccc(C(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O4/c1-32-20-15-13-19(14-16-20)24(18-8-3-2-4-9-18)27-23(29)12-7-17-28-25(30)21-10-5-6-11-22(21)26(28)31/h2-6,8-11,13-16,24H,7,12,17H2,1H3,(H,27,29)
InChIKeyHLMATIPUXBWIKM-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.98
Rot. Bonds8

About 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide (PubChem CID 3842537) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide
PubChem CID3842537
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide
SMILESCOc1ccc(C(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O4/c1-32-20-15-13-19(14-16-20)24(18-8-3-2-4-9-18)27-23(29)12-7-17-28-25(30)21-10-5-6-11-22(21)26(28)31/h2-6,8-11,13-16,24H,7,12,17H2,1H3,(H,27,29)
InChIKeyHLMATIPUXBWIKM-UHFFFAOYSA-N
XLogP3.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 9844338
CID 9844338
CID 519849
CID 519849
CID 710674
CID 710674
CID 2766023
CID 2766023
CID 3537198
CID 3537198
CID 3996345
CID 3996345
CID 44275761
CID 44275761
CID 162669420
CID 162669420
CID 757368
CID 757368
CID 3653878
CID 3653878
CID 3775723
CID 3775723
CID 16288533
CID 16288533

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide (CID 3842537) is 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide is COc1ccc(C(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide?
The InChIKey is HLMATIPUXBWIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-32-20-15-13-19(14-16-20)24(18-8-3-2-4-9-18)27-23(29)12-7-17-28-25(30)21-10-5-6-11-22(21)26(28)31/h2-6,8-11,13-16,24H,7,12,17H2,1H3,(H,27,29).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide has a molecular weight of 428.49 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]butanamide is sourced from PubChem (CID 3842537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).