N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C19H25N3O3 — CID 38282948

IUPACN-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C19H25N3O3/c23-17(11-14-22-18(24)9-10-19(22)25)20-15-7-3-4-8-16(15)21-12-5-1-2-6-13-21/h3-4,7-8H,1-2,5-6,9-14H2,(H,20,23)
InChIKeyBREDHGQMJCWYPA-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.54
Rot. Bonds5

About N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 38282948) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID38282948
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C19H25N3O3/c23-17(11-14-22-18(24)9-10-19(22)25)20-15-7-3-4-8-16(15)21-12-5-1-2-6-13-21/h3-4,7-8H,1-2,5-6,9-14H2,(H,20,23)
InChIKeyBREDHGQMJCWYPA-UHFFFAOYSA-N
XLogP2.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.54
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

3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 2714752
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095
N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 36662901
2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583518
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
5-chloro-N-(2-piperidin-1-ylphenyl)pentanamide
CID 43167914
N-(2-morpholin-4-ylphenyl)-3-piperidin-1-ylpropanamide
CID 110688369
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 17034881
5-amino-4-methyl-N-(2-piperidin-1-ylphenyl)pentanamide
CID 82014227
5-amino-N-(2-piperidin-1-ylphenyl)hexanamide
CID 82850412

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 38282948) is N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is O=C(CCN1C(=O)CCC1=O)Nc1ccccc1N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is BREDHGQMJCWYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17(11-14-22-18(24)9-10-19(22)25)20-15-7-3-4-8-16(15)21-12-5-1-2-6-13-21/h3-4,7-8H,1-2,5-6,9-14H2,(H,20,23).
What are the key properties of N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 38282948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).