ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide

C12H27NO3 — CID 153396785

IUPACethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide
SMILESCC.CC(C)(C)OCCC(O)CCNC=O
InChIInChI=1S/C10H21NO3.C2H6/c1-10(2,3)14-7-5-9(13)4-6-11-8-12;1-2/h8-9,13H,4-7H2,1-3H3,(H,11,12);1-2H3
InChIKeyBDXANMONLHONIS-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.71
Rot. Bonds7

About ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide

ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide (PubChem CID 153396785) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide.

Molecular Properties

Compound Nameethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide
PubChem CID153396785
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Nameethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide
SMILESCC.CC(C)(C)OCCC(O)CCNC=O
InChIInChI=1S/C10H21NO3.C2H6/c1-10(2,3)14-7-5-9(13)4-6-11-8-12;1-2/h8-9,13H,4-7H2,1-3H3,(H,11,12);1-2H3
InChIKeyBDXANMONLHONIS-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)formamide
CID 106243326
N-(3-hydroxyhexyl)formamide
CID 54084231
N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide;ethane
CID 172569679
N-[3-(3-aminophenyl)-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide
CID 172569680
(2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol
CID 154621422
N-[2-[(1S)-1-hydroxybutoxy]ethyl]formamide
CID 118214490
N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide
CID 178096823
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate
CID 103972473
N-[(3S)-3-amino-5,5-dimethylhexyl]formamide
CID 140963974
1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 103600467
N-[2-[4-hydroxy-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]ethyl]formamide
CID 143148178

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide?
The IUPAC name of ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide (CID 153396785) is ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide.
What is the SMILES notation for ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide?
The canonical SMILES for ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide is CC.CC(C)(C)OCCC(O)CCNC=O.
What is the InChIKey of ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide?
The InChIKey is BDXANMONLHONIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3.C2H6/c1-10(2,3)14-7-5-9(13)4-6-11-8-12;1-2/h8-9,13H,4-7H2,1-3H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide?
ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide has a molecular weight of 233.35 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide is sourced from PubChem (CID 153396785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).