N-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide

C17H33NO2 — CID 134504844

IUPACN-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)N(CCC[C@@H](C)OCCCCCC)C(C)C
InChIInChI=1S/C17H33NO2/c1-6-8-9-10-14-20-16(5)12-11-13-18(15(3)4)17(19)7-2/h7,15-16H,2,6,8-14H2,1,3-5H3/t16-/m1/s1
InChIKeyWDPGXDDKPOORJC-MRXNPFEDSA-N
MW283.46 g/mol
LogP4.18
Rot. Bonds12

About N-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide

N-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide (PubChem CID 134504844) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide
PubChem CID134504844
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)N(CCC[C@@H](C)OCCCCCC)C(C)C
InChIInChI=1S/C17H33NO2/c1-6-8-9-10-14-20-16(5)12-11-13-18(15(3)4)17(19)7-2/h7,15-16H,2,6,8-14H2,1,3-5H3/t16-/m1/s1
InChIKeyWDPGXDDKPOORJC-MRXNPFEDSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide?
The IUPAC name of N-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide (CID 134504844) is N-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for N-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide?
The canonical SMILES for N-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide is C=CC(=O)N(CCC[C@@H](C)OCCCCCC)C(C)C.
What is the InChIKey of N-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide?
The InChIKey is WDPGXDDKPOORJC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H33NO2/c1-6-8-9-10-14-20-16(5)12-11-13-18(15(3)4)17(19)7-2/h7,15-16H,2,6,8-14H2,1,3-5H3/t16-/m1/s1.
What are the key properties of N-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide?
N-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide has a molecular weight of 283.46 g/mol, XLogP of 4.18, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-hexoxypentyl]-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 134504844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).