(2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-hydroxybutan-2-yl]propanamide

C27H35N5O5 — CID 59977125

About (2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-hydroxybutan-2-yl]propanamide

(2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-hydroxybutan-2-yl]propanamide (PubChem CID 59977125) has the molecular formula C27H35N5O5 and a molecular weight of 509.61 g/mol. Its IUPAC name is (2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-hydroxybutan-2-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-hydroxybutan-2-yl]propanamide
• PubChem CID: 59977125
• Molecular Formula: C27H35N5O5
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.26
• IUPAC Name: (2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-hydroxybutan-2-yl]propanamide
• SMILES: Cc1ccccc1NC(=O)Nc1ccc(CN2C(=O)N([C@@H](C)C(=O)N[C@H](C)CCO)C(=O)C2(C)C)cc1
• InChI: InChI=1S/C27H35N5O5/c1-17-8-6-7-9-22(17)30-25(36)29-21-12-10-20(11-13-21)16-31-26(37)32(24(35)27(31,4)5)19(3)23(34)28-18(2)14-15-33/h6-13,18-19,33H,14-16H2,1-5H3,(H,28,34)(H2,29,30,36)/t18-,19+/m1/s1
• InChIKey: XSGMRBQOEXAQHB-MOPGFXCFSA-N
• XLogP: 3.46
• TPSA: 131.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-hydroxybutan-2-yl]propanamide?

The IUPAC name of (2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-hydroxybutan-2-yl]propanamide (CID 59977125) is (2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-hydroxybutan-2-yl]propanamide.

What is the SMILES notation for (2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-hydroxybutan-2-yl]propanamide?

The canonical SMILES for (2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-hydroxybutan-2-yl]propanamide is Cc1ccccc1NC(=O)Nc1ccc(CN2C(=O)N([C@@H](C)C(=O)N[C@H](C)CCO)C(=O)C2(C)C)cc1.

What is the InChIKey of (2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-hydroxybutan-2-yl]propanamide?

The InChIKey is XSGMRBQOEXAQHB-MOPGFXCFSA-N. The full InChI is InChI=1S/C27H35N5O5/c1-17-8-6-7-9-22(17)30-25(36)29-21-12-10-20(11-13-21)16-31-26(37)32(24(35)27(31,4)5)19(3)23(34)28-18(2)14-15-33/h6-13,18-19,33H,14-16H2,1-5H3,(H,28,34)(H2,29,30,36)/t18-,19+/m1/s1.

What are the key properties of (2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-hydroxybutan-2-yl]propanamide?

(2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-hydroxybutan-2-yl]propanamide has a molecular weight of 509.61 g/mol, XLogP of 3.46, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[4,4-dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-hydroxybutan-2-yl]propanamide is sourced from PubChem (CID 59977125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).