N-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide

C19H31NO4 — CID 59224571

IUPACN-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide
SMILESCC[C@@H](C)N(CC(OC)OC)C(=O)CCOCCc1ccccc1
InChIInChI=1S/C19H31NO4/c1-5-16(2)20(15-19(22-3)23-4)18(21)12-14-24-13-11-17-9-7-6-8-10-17/h6-10,16,19H,5,11-15H2,1-4H3/t16-/m1/s1
InChIKeyQYNGORAOOYKSOJ-MRXNPFEDSA-N
MW337.46 g/mol
LogP2.88
Rot. Bonds12

About N-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide

N-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide (PubChem CID 59224571) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide
PubChem CID59224571
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC NameN-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide
SMILESCC[C@@H](C)N(CC(OC)OC)C(=O)CCOCCc1ccccc1
InChIInChI=1S/C19H31NO4/c1-5-16(2)20(15-19(22-3)23-4)18(21)12-14-24-13-11-17-9-7-6-8-10-17/h6-10,16,19H,5,11-15H2,1-4H3/t16-/m1/s1
InChIKeyQYNGORAOOYKSOJ-MRXNPFEDSA-N
XLogP2.88
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide (CID 59224571) is N-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide is CC[C@@H](C)N(CC(OC)OC)C(=O)CCOCCc1ccccc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide?
The InChIKey is QYNGORAOOYKSOJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31NO4/c1-5-16(2)20(15-19(22-3)23-4)18(21)12-14-24-13-11-17-9-7-6-8-10-17/h6-10,16,19H,5,11-15H2,1-4H3/t16-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide?
N-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide has a molecular weight of 337.46 g/mol, XLogP of 2.88, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide is sourced from PubChem (CID 59224571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).