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

C18H23ClN4O3 — CID 119576008

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCC(CN)(NC(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O)C1CC1
InChIInChI=1S/C18H23ClN4O3/c1-18(10-20,11-2-3-11)22-15(24)9-8-14-16(25)23(17(26)21-14)13-6-4-12(19)5-7-13/h4-7,11,14H,2-3,8-10,20H2,1H3,(H,21,26)(H,22,24)
InChIKeyPVNNHTRXDWCWCI-UHFFFAOYSA-N
MW378.86 g/mol
LogP1.79
Rot. Bonds7

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

N-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 119576008) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID119576008
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCC(CN)(NC(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O)C1CC1
InChIInChI=1S/C18H23ClN4O3/c1-18(10-20,11-2-3-11)22-15(24)9-8-14-16(25)23(17(26)21-14)13-6-4-12(19)5-7-13/h4-7,11,14H,2-3,8-10,20H2,1H3,(H,21,26)(H,22,24)
InChIKeyPVNNHTRXDWCWCI-UHFFFAOYSA-N
XLogP1.79
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.79
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
N-[2-(aminomethyl)cyclopentyl]-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 119605285
N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride
CID 119643950
2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid
CID 119350473
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 167837601
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
CID 81487152
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119574756
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514778
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650855
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
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylpropanamide
CID 81487027

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide (CID 119576008) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide is CC(CN)(NC(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is PVNNHTRXDWCWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-18(10-20,11-2-3-11)22-15(24)9-8-14-16(25)23(17(26)21-14)13-6-4-12(19)5-7-13/h4-7,11,14H,2-3,8-10,20H2,1H3,(H,21,26)(H,22,24).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 378.86 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 119576008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).