[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione

C18H26N4O5 — CID 174911748

IUPAC[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)O)cc1.O=C1CCC(=O)N1
InChIInChI=1S/C14H21N3O3.C4H5NO2/c1-3-17(4-2)10-9-15-13(18)11-5-7-12(8-6-11)16-14(19)20;6-3-1-2-4(7)5-3/h5-8,16H,3-4,9-10H2,1-2H3,(H,15,18)(H,19,20);1-2H2,(H,5,6,7)
InChIKeyPMKDSSOPETYDHQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.27
Rot. Bonds7

About [4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione

[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione (PubChem CID 174911748) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione
PubChem CID174911748
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Name[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)O)cc1.O=C1CCC(=O)N1
InChIInChI=1S/C14H21N3O3.C4H5NO2/c1-3-17(4-2)10-9-15-13(18)11-5-7-12(8-6-11)16-14(19)20;6-3-1-2-4(7)5-3/h5-8,16H,3-4,9-10H2,1-2H3,(H,15,18)(H,19,20);1-2H2,(H,5,6,7)
InChIKeyPMKDSSOPETYDHQ-UHFFFAOYSA-N
XLogP1.27
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827819
N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 26163528
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
CID 17229756
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825
N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide
CID 4793474
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide
CID 119827871
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
methyl 4-[4-[2-(diethylamino)ethylcarbamoyl]anilino]-4-oxobutanoate
CID 108797576
N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide
CID 142899815

Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione?
The IUPAC name of [4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione (CID 174911748) is [4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione.
What is the SMILES notation for [4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione?
The canonical SMILES for [4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione is CCN(CC)CCNC(=O)c1ccc(NC(=O)O)cc1.O=C1CCC(=O)N1.
What is the InChIKey of [4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione?
The InChIKey is PMKDSSOPETYDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.C4H5NO2/c1-3-17(4-2)10-9-15-13(18)11-5-7-12(8-6-11)16-14(19)20;6-3-1-2-4(7)5-3/h5-8,16H,3-4,9-10H2,1-2H3,(H,15,18)(H,19,20);1-2H2,(H,5,6,7).
What are the key properties of [4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione?
[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione has a molecular weight of 378.43 g/mol, XLogP of 1.27, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione is sourced from PubChem (CID 174911748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).