molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide

C19H31NO — CID 176982316

IUPACmolecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2C(C)(C)C(C)C2(C)C)cc1.[H][H]
InChIInChI=1S/C19H29NO.H2/c1-12(2)14-8-10-15(11-9-14)16(21)20-17-18(4,5)13(3)19(17,6)7;/h8-13,17H,1-7H3,(H,20,21);1H
InChIKeyCNRUWJGRFHEEGL-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.86
Rot. Bonds3

About molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide

molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide (PubChem CID 176982316) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound Namemolecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide
PubChem CID176982316
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Namemolecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2C(C)(C)C(C)C2(C)C)cc1.[H][H]
InChIInChI=1S/C19H29NO.H2/c1-12(2)14-8-10-15(11-9-14)16(21)20-17-18(4,5)13(3)19(17,6)7;/h8-13,17H,1-7H3,(H,20,21);1H
InChIKeyCNRUWJGRFHEEGL-UHFFFAOYSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 176982669
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-[3-(4-isocyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-propan-2-ylbenzamide
CID 170683297
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide
CID 79710945
N-[3-(4-isocyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-propan-2-ylbenzamide
CID 170683288
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
CID 169133122
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid
CID 79356507
N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
CID 18229988
4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79350622
2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
CID 16769025
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide
CID 79711984

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide?
The IUPAC name of molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide (CID 176982316) is molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide?
The canonical SMILES for molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NC2C(C)(C)C(C)C2(C)C)cc1.[H][H].
What is the InChIKey of molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide?
The InChIKey is CNRUWJGRFHEEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO.H2/c1-12(2)14-8-10-15(11-9-14)16(21)20-17-18(4,5)13(3)19(17,6)7;/h8-13,17H,1-7H3,(H,20,21);1H.
What are the key properties of molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide?
molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide has a molecular weight of 289.46 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 176982316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).