N-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide

C22H30N4O4 — CID 5200725

IUPACN-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(C(=O)CC1NC(=O)NC1=O)c1ccc(C)cc1
InChIInChI=1S/C22H30N4O4/c1-4-22(3,20(29)23-15-7-5-6-8-15)26(16-11-9-14(2)10-12-16)18(27)13-17-19(28)25-21(30)24-17/h9-12,15,17H,4-8,13H2,1-3H3,(H,23,29)(H2,24,25,28,30)
InChIKeyIIGCUMQYEWJQSS-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.15
Rot. Bonds7

About N-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide

N-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide (PubChem CID 5200725) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide
PubChem CID5200725
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(C(=O)CC1NC(=O)NC1=O)c1ccc(C)cc1
InChIInChI=1S/C22H30N4O4/c1-4-22(3,20(29)23-15-7-5-6-8-15)26(16-11-9-14(2)10-12-16)18(27)13-17-19(28)25-21(30)24-17/h9-12,15,17H,4-8,13H2,1-3H3,(H,23,29)(H2,24,25,28,30)
InChIKeyIIGCUMQYEWJQSS-UHFFFAOYSA-N
XLogP2.15
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide?
The IUPAC name of N-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide (CID 5200725) is N-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide.
What is the SMILES notation for N-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide?
The canonical SMILES for N-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide is CCC(C)(C(=O)NC1CCCC1)N(C(=O)CC1NC(=O)NC1=O)c1ccc(C)cc1.
What is the InChIKey of N-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide?
The InChIKey is IIGCUMQYEWJQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-4-22(3,20(29)23-15-7-5-6-8-15)26(16-11-9-14(2)10-12-16)18(27)13-17-19(28)25-21(30)24-17/h9-12,15,17H,4-8,13H2,1-3H3,(H,23,29)(H2,24,25,28,30).
What are the key properties of N-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide?
N-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide has a molecular weight of 414.51 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(N-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-4-methylanilino)-2-methylbutanamide is sourced from PubChem (CID 5200725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).