N-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C15H23NO4 — CID 87852483

IUPACN-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CC(OCCO)c1ccccc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-16(12-18)11-14(19-10-9-17)13-7-5-4-6-8-13/h4-8,12,14,17H,9-11H2,1-3H3
InChIKeyBEMJAJYAKVDVIP-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.93
Rot. Bonds8

About N-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 87852483) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID87852483
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CC(OCCO)c1ccccc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-16(12-18)11-14(19-10-9-17)13-7-5-4-6-8-13/h4-8,12,14,17H,9-11H2,1-3H3
InChIKeyBEMJAJYAKVDVIP-UHFFFAOYSA-N
XLogP1.93
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[bis[2-[bis[2-(2-hydroxyethoxy)-2-phenylethyl]amino]ethyl]amino]-1-phenylethoxy]ethanol
CID 59475402
2-[(1S)-2-iodo-1-phenylethoxy]ethanol
CID 125483394
2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol
CID 59001710
2-(3-ethyl-1-phenylnonoxy)ethanol
CID 12997328
N-[3-(N-methylanilino)propyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 57048026
1-pentoxypropylbenzene
CID 57033372
N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide
CID 87102955
2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol
CID 139655568
N-(2-hydroxy-2-phenylethoxy)-N-[(2-methylpropan-2-yl)oxy]formamide
CID 87975363
1-pentoxybutylbenzene
CID 173061669
1-dodecoxyhexylbenzene
CID 174774790
[chloro(pentoxy)methyl]benzene
CID 141305175

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 87852483) is N-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)CC(OCCO)c1ccccc1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is BEMJAJYAKVDVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)20-16(12-18)11-14(19-10-9-17)13-7-5-4-6-8-13/h4-8,12,14,17H,9-11H2,1-3H3.
What are the key properties of N-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 281.35 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)-2-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 87852483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).