2-ethylpentan-1-ol;N-(1-phenylethyl)formamide

C16H27NO2 — CID 154648381

IUPAC2-ethylpentan-1-ol;N-(1-phenylethyl)formamide
SMILESCC(NC=O)c1ccccc1.CCCC(CC)CO
InChIInChI=1S/C9H11NO.C7H16O/c1-8(10-7-11)9-5-3-2-4-6-9;1-3-5-7(4-2)6-8/h2-8H,1H3,(H,10,11);7-8H,3-6H2,1-2H3
InChIKeyQWGUCKDEACVFIS-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.30
Rot. Bonds7

About 2-ethylpentan-1-ol;N-(1-phenylethyl)formamide

2-ethylpentan-1-ol;N-(1-phenylethyl)formamide (PubChem CID 154648381) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-ethylpentan-1-ol;N-(1-phenylethyl)formamide.

Molecular Properties

Compound Name2-ethylpentan-1-ol;N-(1-phenylethyl)formamide
PubChem CID154648381
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-ethylpentan-1-ol;N-(1-phenylethyl)formamide
SMILESCC(NC=O)c1ccccc1.CCCC(CC)CO
InChIInChI=1S/C9H11NO.C7H16O/c1-8(10-7-11)9-5-3-2-4-6-9;1-3-5-7(4-2)6-8/h2-8H,1H3,(H,10,11);7-8H,3-6H2,1-2H3
InChIKeyQWGUCKDEACVFIS-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide
CID 154648376
(4S)-4-[[[(1R)-1-phenylethyl]amino]methyl]hept-1-en-2-ol
CID 90132701
N-(2-ethyl-1-phenylhexyl)formamide
CID 138546224
2-ethyl-N-(1-phenylethyl)butan-1-amine
CID 43177121
2-[[(1S)-1-phenylethyl]amino]acetaldehyde
CID 173253392
N-(1,3-dihydroxy-1-phenylpropan-2-yl)formamide
CID 13382275
N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide
CID 13382276
benzenesulfonic acid;2-propylpropane-1,3-diol
CID 88719829
N-(1-phenylpentan-2-yl)formamide
CID 87974467
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
N-pentan-2-yl-2-(1-phenylethylamino)acetamide
CID 60684136
(3S)-3-[[[(1S)-1-phenylethyl]amino]methyl]pentanoic acid
CID 66666559

Frequently Asked Questions

What is the IUPAC name of 2-ethylpentan-1-ol;N-(1-phenylethyl)formamide?
The IUPAC name of 2-ethylpentan-1-ol;N-(1-phenylethyl)formamide (CID 154648381) is 2-ethylpentan-1-ol;N-(1-phenylethyl)formamide.
What is the SMILES notation for 2-ethylpentan-1-ol;N-(1-phenylethyl)formamide?
The canonical SMILES for 2-ethylpentan-1-ol;N-(1-phenylethyl)formamide is CC(NC=O)c1ccccc1.CCCC(CC)CO.
What is the InChIKey of 2-ethylpentan-1-ol;N-(1-phenylethyl)formamide?
The InChIKey is QWGUCKDEACVFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C7H16O/c1-8(10-7-11)9-5-3-2-4-6-9;1-3-5-7(4-2)6-8/h2-8H,1H3,(H,10,11);7-8H,3-6H2,1-2H3.
What are the key properties of 2-ethylpentan-1-ol;N-(1-phenylethyl)formamide?
2-ethylpentan-1-ol;N-(1-phenylethyl)formamide has a molecular weight of 265.40 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpentan-1-ol;N-(1-phenylethyl)formamide is sourced from PubChem (CID 154648381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).