2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide

C18H27NO — CID 44592691

IUPAC2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide
SMILESC=C(CCCC)[C@@H](NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H27NO/c1-6-7-11-14(2)16(15-12-9-8-10-13-15)19-17(20)18(3,4)5/h8-10,12-13,16H,2,6-7,11H2,1,3-5H3,(H,19,20)/t16-/m1/s1
InChIKeyAXQOWBXCMYBKIJ-MRXNPFEDSA-N
MW273.42 g/mol
LogP4.64
Rot. Bonds6

About 2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide

2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide (PubChem CID 44592691) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide
PubChem CID44592691
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide
SMILESC=C(CCCC)[C@@H](NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H27NO/c1-6-7-11-14(2)16(15-12-9-8-10-13-15)19-17(20)18(3,4)5/h8-10,12-13,16H,2,6-7,11H2,1,3-5H3,(H,19,20)/t16-/m1/s1
InChIKeyAXQOWBXCMYBKIJ-MRXNPFEDSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide (CID 44592691) is 2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide is C=C(CCCC)[C@@H](NC(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide?
The InChIKey is AXQOWBXCMYBKIJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27NO/c1-6-7-11-14(2)16(15-12-9-8-10-13-15)19-17(20)18(3,4)5/h8-10,12-13,16H,2,6-7,11H2,1,3-5H3,(H,19,20)/t16-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide?
2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide has a molecular weight of 273.42 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1R)-2-methylidene-1-phenylhexyl]propanamide is sourced from PubChem (CID 44592691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).