N-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

C24H27N3O4 — CID 110562877

IUPACN-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCCN(C1=C(c2ccc(NC(C)=O)cc2)C(=O)N(CCCOC)C1=O)c1ccccc1
InChIInChI=1S/C24H27N3O4/c1-4-26(20-9-6-5-7-10-20)22-21(18-11-13-19(14-12-18)25-17(2)28)23(29)27(24(22)30)15-8-16-31-3/h5-7,9-14H,4,8,15-16H2,1-3H3,(H,25,28)
InChIKeyDCBJQYIPKQZJIN-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.29
Rot. Bonds9

About N-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

N-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110562877) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110562877
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCCN(C1=C(c2ccc(NC(C)=O)cc2)C(=O)N(CCCOC)C1=O)c1ccccc1
InChIInChI=1S/C24H27N3O4/c1-4-26(20-9-6-5-7-10-20)22-21(18-11-13-19(14-12-18)25-17(2)28)23(29)27(24(22)30)15-8-16-31-3/h5-7,9-14H,4,8,15-16H2,1-3H3,(H,25,28)
InChIKeyDCBJQYIPKQZJIN-UHFFFAOYSA-N
XLogP3.29
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572740
3-(N-ethylanilino)-1-(3-methoxypropyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551433
N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562507
N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562422
3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110569924
N-[4-[1-(3-methoxypropyl)-2,5-dioxo-4-propan-2-ylsulfanylpyrrol-3-yl]phenyl]acetamide
CID 110562885
N-[4-[1-(3,4-dimethylphenyl)-4-(N-ethylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563350
3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-hexylpyrrole-2,5-dione
CID 110564488
1-(3-butoxypropyl)-3-(N-ethylanilino)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541819
1-(3-butoxypropyl)-3-(3,4-dimethylphenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110549443
N-[4-[3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110550353
3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-hexylpyrrole-2,5-dione
CID 110549357

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110562877) is N-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CCN(C1=C(c2ccc(NC(C)=O)cc2)C(=O)N(CCCOC)C1=O)c1ccccc1.
What is the InChIKey of N-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is DCBJQYIPKQZJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-4-26(20-9-6-5-7-10-20)22-21(18-11-13-19(14-12-18)25-17(2)28)23(29)27(24(22)30)15-8-16-31-3/h5-7,9-14H,4,8,15-16H2,1-3H3,(H,25,28).
What are the key properties of N-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110562877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).