N-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide

C27H26N4O4 — CID 57298805

IUPACN-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide
SMILESCC(C(=O)Nc1ccc(N(C)C)cc1)N(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C27H26N4O4/c1-18(25(33)28-19-13-15-20(16-14-19)29(2)3)31(21-9-5-4-6-10-21)24(32)17-30-26(34)22-11-7-8-12-23(22)27(30)35/h4-16,18H,17H2,1-3H3,(H,28,33)
InChIKeyVOBJIZLGQSQWIZ-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.41
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide

N-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide (PubChem CID 57298805) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide
PubChem CID57298805
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide
SMILESCC(C(=O)Nc1ccc(N(C)C)cc1)N(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C27H26N4O4/c1-18(25(33)28-19-13-15-20(16-14-19)29(2)3)31(21-9-5-4-6-10-21)24(32)17-30-26(34)22-11-7-8-12-23(22)27(30)35/h4-16,18H,17H2,1-3H3,(H,28,33)
InChIKeyVOBJIZLGQSQWIZ-UHFFFAOYSA-N
XLogP3.41
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide
CID 57291085
N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide
CID 57163180
(2S)-N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1181271
2-[(4-chlorophenyl)methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 43819630
N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2905131
N-[4-(dimethylamino)phenyl]-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108786884
N-[4-(dimethylamino)phenyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201938
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190371
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7496142
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 90581492
N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8918958
2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-[4-(dimethylamino)phenyl]-2-thiophen-2-ylacetamide
CID 4144081

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide (CID 57298805) is N-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide is CC(C(=O)Nc1ccc(N(C)C)cc1)N(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide?
The InChIKey is VOBJIZLGQSQWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-18(25(33)28-19-13-15-20(16-14-19)29(2)3)31(21-9-5-4-6-10-21)24(32)17-30-26(34)22-11-7-8-12-23(22)27(30)35/h4-16,18H,17H2,1-3H3,(H,28,33).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide?
N-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide has a molecular weight of 470.53 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide is sourced from PubChem (CID 57298805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).