3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide

C17H23ClN4O3 — CID 120650855

IUPAC3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H23ClN4O3/c1-3-19-11(2)10-20-15(23)9-8-14-16(24)22(17(25)21-14)13-6-4-12(18)5-7-13/h4-7,11,14,19H,3,8-10H2,1-2H3,(H,20,23)(H,21,25)/t11-,14?/m1/s1
InChIKeyNEYAQVPOWLOIIE-YNODCEANSA-N
MW366.85 g/mol
LogP1.66
Rot. Bonds8

About 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide

3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide (PubChem CID 120650855) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide
PubChem CID120650855
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H23ClN4O3/c1-3-19-11(2)10-20-15(23)9-8-14-16(24)22(17(25)21-14)13-6-4-12(18)5-7-13/h4-7,11,14,19H,3,8-10H2,1-2H3,(H,20,23)(H,21,25)/t11-,14?/m1/s1
InChIKeyNEYAQVPOWLOIIE-YNODCEANSA-N
XLogP1.66
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid
CID 119350473
N-(2-amino-2-methylpropyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 119630707
N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride
CID 119643950
(2S)-2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-4-methylpentanoic acid
CID 119362153
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514778
methyl 2-[3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]propanoylamino]acetate
CID 126418668
3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 110205419
N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 119605285
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 167837601
3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
CID 110204659
3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
CID 124849525
methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate
CID 91822490

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide?
The IUPAC name of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide (CID 120650855) is 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide is CCN[C@H](C)CNC(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide?
The InChIKey is NEYAQVPOWLOIIE-YNODCEANSA-N. The full InChI is InChI=1S/C17H23ClN4O3/c1-3-19-11(2)10-20-15(23)9-8-14-16(24)22(17(25)21-14)13-6-4-12(18)5-7-13/h4-7,11,14,19H,3,8-10H2,1-2H3,(H,20,23)(H,21,25)/t11-,14?/m1/s1.
What are the key properties of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide?
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide has a molecular weight of 366.85 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide is sourced from PubChem (CID 120650855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).