N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C18H17N3O3 — CID 28867506

IUPACN-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1N
InChIInChI=1S/C18H17N3O3/c1-11-6-7-12(10-15(11)19)20-16(22)8-9-21-17(23)13-4-2-3-5-14(13)18(21)24/h2-7,10H,8-9,19H2,1H3,(H,20,22)
InChIKeyDBNQWNVSOSFKNL-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.20
Rot. Bonds4

About N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 28867506) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID28867506
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1N
InChIInChI=1S/C18H17N3O3/c1-11-6-7-12(10-15(11)19)20-16(22)8-9-21-17(23)13-4-2-3-5-14(13)18(21)24/h2-7,10H,8-9,19H2,1H3,(H,20,22)
InChIKeyDBNQWNVSOSFKNL-UHFFFAOYSA-N
XLogP2.20
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxy-3-methylphenyl)propanamide
CID 110776420
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
N-(4-anilinophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1301535
3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-methylbenzoic acid
CID 1250549
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110660112
N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867517
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110642564
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591753
3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769961
N-(4-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 973423
N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1300800

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 28867506) is N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is DBNQWNVSOSFKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-6-7-12(10-15(11)19)20-16(22)8-9-21-17(23)13-4-2-3-5-14(13)18(21)24/h2-7,10H,8-9,19H2,1H3,(H,20,22).
What are the key properties of N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 323.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 28867506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).