(2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide

C22H30N4O4 — CID 7107392

IUPAC(2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide
SMILESCC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)C[C@H]1NC(=O)NC1=O)c1ccccc1
InChIInChI=1S/C22H30N4O4/c1-3-22(2,20(29)23-15-10-6-4-7-11-15)26(16-12-8-5-9-13-16)18(27)14-17-19(28)25-21(30)24-17/h5,8-9,12-13,15,17H,3-4,6-7,10-11,14H2,1-2H3,(H,23,29)(H2,24,25,28,30)/t17-,22-/m1/s1
InChIKeyYUFWDTYSIGTVDM-VGOFRKELSA-N
MW414.51 g/mol
LogP2.24
Rot. Bonds7

About (2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide

(2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide (PubChem CID 7107392) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide
PubChem CID7107392
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name(2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide
SMILESCC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)C[C@H]1NC(=O)NC1=O)c1ccccc1
InChIInChI=1S/C22H30N4O4/c1-3-22(2,20(29)23-15-10-6-4-7-11-15)26(16-12-8-5-9-13-16)18(27)14-17-19(28)25-21(30)24-17/h5,8-9,12-13,15,17H,3-4,6-7,10-11,14H2,1-2H3,(H,23,29)(H2,24,25,28,30)/t17-,22-/m1/s1
InChIKeyYUFWDTYSIGTVDM-VGOFRKELSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide with MolForge

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Related Compounds

N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide
CID 7287866
N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide
CID 6940630
(2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide
CID 7012221
N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 7103582
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
2-amino-N-cycloheptyl-2-phenylpropanamide;hydrochloride
CID 120586523
5-phenacylimidazolidine-2,4-dione
CID 15716927
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 7107433
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide
CID 7099177
N-cyclohexyl-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51829766
3-(2,5-dioxoimidazolidin-4-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 51073460
2-[N-[(4-chlorophenyl)methyl]-2-nitroanilino]-N-cyclohexyl-2-methylbutanamide
CID 16681487

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide (CID 7107392) is (2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide is CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)C[C@H]1NC(=O)NC1=O)c1ccccc1.
What is the InChIKey of (2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide?
The InChIKey is YUFWDTYSIGTVDM-VGOFRKELSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-3-22(2,20(29)23-15-10-6-4-7-11-15)26(16-12-8-5-9-13-16)18(27)14-17-19(28)25-21(30)24-17/h5,8-9,12-13,15,17H,3-4,6-7,10-11,14H2,1-2H3,(H,23,29)(H2,24,25,28,30)/t17-,22-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide?
(2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide has a molecular weight of 414.51 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide is sourced from PubChem (CID 7107392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).