[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid

C18H24N4O5 — CID 155045239

IUPAC[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid
SMILESCCN(CC)CCNC(=O)c1ccc(N(C(=O)O)N2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H24N4O5/c1-3-20(4-2)12-11-19-17(25)13-5-7-14(8-6-13)21(18(26)27)22-15(23)9-10-16(22)24/h5-8H,3-4,9-12H2,1-2H3,(H,19,25)(H,26,27)
InChIKeyJZHVQEMFZUDJHD-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.31
Rot. Bonds8

About [4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid

[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid (PubChem CID 155045239) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid
PubChem CID155045239
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid
SMILESCCN(CC)CCNC(=O)c1ccc(N(C(=O)O)N2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H24N4O5/c1-3-20(4-2)12-11-19-17(25)13-5-7-14(8-6-13)21(18(26)27)22-15(23)9-10-16(22)24/h5-8H,3-4,9-12H2,1-2H3,(H,19,25)(H,26,27)
InChIKeyJZHVQEMFZUDJHD-UHFFFAOYSA-N
XLogP1.31
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573
[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione
CID 174911748
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[2-(diethylamino)ethyl]-4-[2-(methylamino)ethyl]benzamide
CID 10564500
1-N,4-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,4-dicarboxamide
CID 139952705
N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
N-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide
CID 91185909

Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid?
The IUPAC name of [4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid (CID 155045239) is [4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid.
What is the SMILES notation for [4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid?
The canonical SMILES for [4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid is CCN(CC)CCNC(=O)c1ccc(N(C(=O)O)N2C(=O)CCC2=O)cc1.
What is the InChIKey of [4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid?
The InChIKey is JZHVQEMFZUDJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-3-20(4-2)12-11-19-17(25)13-5-7-14(8-6-13)21(18(26)27)22-15(23)9-10-16(22)24/h5-8H,3-4,9-12H2,1-2H3,(H,19,25)(H,26,27).
What are the key properties of [4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid?
[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid has a molecular weight of 376.41 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethylcarbamoyl]phenyl]-(2,5-dioxopyrrolidin-1-yl)carbamic acid is sourced from PubChem (CID 155045239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).