N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride

C18H26Cl2N4O3 — CID 119643950

IUPACN-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O.Cl
InChIInChI=1S/C18H25ClN4O3.ClH/c1-3-18(20,4-2)11-21-15(24)10-9-14-16(25)23(17(26)22-14)13-7-5-12(19)6-8-13;/h5-8,14H,3-4,9-11,20H2,1-2H3,(H,21,24)(H,22,26);1H
InChIKeyRXVZVIZQPHIEAD-UHFFFAOYSA-N
MW417.34 g/mol
LogP2.60
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride (PubChem CID 119643950) has the molecular formula C18H26Cl2N4O3 and a molecular weight of 417.34 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride
PubChem CID119643950
Molecular FormulaC18H26Cl2N4O3
Molecular Weight417.34 g/mol
Exact Mass416.14
IUPAC NameN-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O.Cl
InChIInChI=1S/C18H25ClN4O3.ClH/c1-3-18(20,4-2)11-21-15(24)10-9-14-16(25)23(17(26)22-14)13-7-5-12(19)6-8-13;/h5-8,14H,3-4,9-11,20H2,1-2H3,(H,21,24)(H,22,26);1H
InChIKeyRXVZVIZQPHIEAD-UHFFFAOYSA-N
XLogP2.60
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 52.60
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

N-(2-amino-2-methylpropyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 119630707
2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid
CID 119350473
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650855
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 119576008
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514778
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 167837601
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119429245
(2S)-2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-4-methylpentanoic acid
CID 119362153
methyl 2-[3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]propanoylamino]acetate
CID 126418668
N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 119605285
methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate
CID 91822490
N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119642531

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride (CID 119643950) is N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride is CCC(N)(CC)CNC(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride?
The InChIKey is RXVZVIZQPHIEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O3.ClH/c1-3-18(20,4-2)11-21-15(24)10-9-14-16(25)23(17(26)22-14)13-7-5-12(19)6-8-13;/h5-8,14H,3-4,9-11,20H2,1-2H3,(H,21,24)(H,22,26);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride has a molecular weight of 417.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride is sourced from PubChem (CID 119643950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).