2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide

C23H40N4O4 — CID 101160358

IUPAC2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide
SMILESCC(C)[C@H]1COC(C(C)(C)NC(=O)C(C)(C)C(=O)NC(C)(C)C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C23H40N4O4/c1-13(2)15-11-30-19(24-15)22(7,8)26-17(28)21(5,6)18(29)27-23(9,10)20-25-16(12-31-20)14(3)4/h13-16H,11-12H2,1-10H3,(H,26,28)(H,27,29)/t15-,16-/m1/s1
InChIKeySWJONYUARGPIDF-HZPDHXFCSA-N
MW436.60 g/mol
LogP2.71
Rot. Bonds8

About 2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide

2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide (PubChem CID 101160358) has the molecular formula C23H40N4O4 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide
PubChem CID101160358
Molecular FormulaC23H40N4O4
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC Name2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide
SMILESCC(C)[C@H]1COC(C(C)(C)NC(=O)C(C)(C)C(=O)NC(C)(C)C2=N[C@@H](C(C)C)CO2)=N1
InChIInChI=1S/C23H40N4O4/c1-13(2)15-11-30-19(24-15)22(7,8)26-17(28)21(5,6)18(29)27-23(9,10)20-25-16(12-31-20)14(3)4/h13-16H,11-12H2,1-10H3,(H,26,28)(H,27,29)/t15-,16-/m1/s1
InChIKeySWJONYUARGPIDF-HZPDHXFCSA-N
XLogP2.71
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-tert-butyl 3,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butanethioate
CID 134839604
1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one
CID 101390519
2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)acetic acid
CID 84654084
diphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane
CID 170897211
2-[1,3-diphenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 72772752
(4S)-2-bromo-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 101459148
N-[(1S)-2-methyl-1-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]acetamide
CID 131801559
2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
CID 174868830
(4R)-4-propan-2-yl-2-[6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridazin-3-yl]-4,5-dihydro-1,3-oxazole
CID 132550078
(4S)-4-propan-2-yl-2-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-ylidene]methyl]-4,5-dihydro-1,3-oxazole
CID 139127047
N-tert-butyl-2-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
CID 106352124
(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;rhodium(3+);diacetate;hydrate
CID 54699293

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide?
The IUPAC name of 2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide (CID 101160358) is 2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide.
What is the SMILES notation for 2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide?
The canonical SMILES for 2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide is CC(C)[C@H]1COC(C(C)(C)NC(=O)C(C)(C)C(=O)NC(C)(C)C2=N[C@@H](C(C)C)CO2)=N1.
What is the InChIKey of 2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide?
The InChIKey is SWJONYUARGPIDF-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H40N4O4/c1-13(2)15-11-30-19(24-15)22(7,8)26-17(28)21(5,6)18(29)27-23(9,10)20-25-16(12-31-20)14(3)4/h13-16H,11-12H2,1-10H3,(H,26,28)(H,27,29)/t15-,16-/m1/s1.
What are the key properties of 2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide?
2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide has a molecular weight of 436.60 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N,N'-bis[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]propanediamide is sourced from PubChem (CID 101160358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).