N-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide

C28H32N4O3 — CID 91185909

IUPACN-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(N2CCN(c3ccc(Oc4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C28H32N4O3/c1-3-30(4-2)19-18-29-27(33)22-10-12-23(13-11-22)31-20-21-32(28(31)34)24-14-16-26(17-15-24)35-25-8-6-5-7-9-25/h5-17H,3-4,18-21H2,1-2H3,(H,29,33)
InChIKeyYMGFVFHGIGGDRI-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.00
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide

N-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide (PubChem CID 91185909) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide
PubChem CID91185909
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC NameN-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(N2CCN(c3ccc(Oc4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C28H32N4O3/c1-3-30(4-2)19-18-29-27(33)22-10-12-23(13-11-22)31-20-21-32(28(31)34)24-14-16-26(17-15-24)35-25-8-6-5-7-9-25/h5-17H,3-4,18-21H2,1-2H3,(H,29,33)
InChIKeyYMGFVFHGIGGDRI-UHFFFAOYSA-N
XLogP5.00
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
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CID 30607914
N-[2-(diethylamino)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide
CID 7276879
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide
CID 90552526
N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide
CID 167985383
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide (CID 91185909) is N-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide is CCN(CC)CCNC(=O)c1ccc(N2CCN(c3ccc(Oc4ccccc4)cc3)C2=O)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide?
The InChIKey is YMGFVFHGIGGDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-3-30(4-2)19-18-29-27(33)22-10-12-23(13-11-22)31-20-21-32(28(31)34)24-14-16-26(17-15-24)35-25-8-6-5-7-9-25/h5-17H,3-4,18-21H2,1-2H3,(H,29,33).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide?
N-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide has a molecular weight of 472.59 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide is sourced from PubChem (CID 91185909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).