3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide

C17H26N2O — CID 64683408

IUPAC3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide
SMILESCC(C)(N)CC(=O)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-17(2,18)12-16(20)19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-7,14-15H,8-12,18H2,1-2H3,(H,19,20)
InChIKeyJZVQRUFQOYWVSW-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.96
Rot. Bonds4

About 3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide

3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide (PubChem CID 64683408) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide
PubChem CID64683408
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide
SMILESCC(C)(N)CC(=O)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-17(2,18)12-16(20)19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-7,14-15H,8-12,18H2,1-2H3,(H,19,20)
InChIKeyJZVQRUFQOYWVSW-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide (CID 64683408) is 3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide is CC(C)(N)CC(=O)NC1CCC(c2ccccc2)CC1.
What is the InChIKey of 3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide?
The InChIKey is JZVQRUFQOYWVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,18)12-16(20)19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-7,14-15H,8-12,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide?
3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide has a molecular weight of 274.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide is sourced from PubChem (CID 64683408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).