(2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide

C25H44N4O5 — CID 58412565

IUPAC(2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide
SMILESCNC(=O)[C@H](CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C
InChIInChI=1S/C25H44N4O5/c1-15(2)13-18(19(30)14-17(21(32)26-9)24(4,5)6)27-20(31)16(3)11-12-29-22(33)25(7,8)28(10)23(29)34/h15-18H,11-14H2,1-10H3,(H,26,32)(H,27,31)/t16-,17+,18-/m1/s1
InChIKeyVBYSLGVRJLUVBQ-FGTMMUONSA-N
MW480.65 g/mol
LogP2.58
Rot. Bonds11

About (2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide

(2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide (PubChem CID 58412565) has the molecular formula C25H44N4O5 and a molecular weight of 480.65 g/mol. Its IUPAC name is (2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide.

Molecular Properties

Compound Name(2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide
PubChem CID58412565
Molecular FormulaC25H44N4O5
Molecular Weight480.65 g/mol
Exact Mass480.33
IUPAC Name(2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide
SMILESCNC(=O)[C@H](CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C
InChIInChI=1S/C25H44N4O5/c1-15(2)13-18(19(30)14-17(21(32)26-9)24(4,5)6)27-20(31)16(3)11-12-29-22(33)25(7,8)28(10)23(29)34/h15-18H,11-14H2,1-10H3,(H,26,32)(H,27,31)/t16-,17+,18-/m1/s1
InChIKeyVBYSLGVRJLUVBQ-FGTMMUONSA-N
XLogP2.58
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.65
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide?
The IUPAC name of (2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide (CID 58412565) is (2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide.
What is the SMILES notation for (2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide?
The canonical SMILES for (2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide is CNC(=O)[C@H](CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C.
What is the InChIKey of (2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide?
The InChIKey is VBYSLGVRJLUVBQ-FGTMMUONSA-N. The full InChI is InChI=1S/C25H44N4O5/c1-15(2)13-18(19(30)14-17(21(32)26-9)24(4,5)6)27-20(31)16(3)11-12-29-22(33)25(7,8)28(10)23(29)34/h15-18H,11-14H2,1-10H3,(H,26,32)(H,27,31)/t16-,17+,18-/m1/s1.
What are the key properties of (2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide?
(2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide has a molecular weight of 480.65 g/mol, XLogP of 2.58, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-tert-butyl-N,7-dimethyl-5-[[(2R)-2-methyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]-4-oxooctanamide is sourced from PubChem (CID 58412565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).