N-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide

C10H21NO3 — CID 142007053

IUPACN-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide
SMILESCOCC(NC=O)C(C)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-8(14-10(2,3)4)9(6-13-5)11-7-12/h7-9H,6H2,1-5H3,(H,11,12)
InChIKeyZYOVJGOLERXRPO-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.95
Rot. Bonds6

About N-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide

N-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide (PubChem CID 142007053) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide
PubChem CID142007053
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide
SMILESCOCC(NC=O)C(C)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-8(14-10(2,3)4)9(6-13-5)11-7-12/h7-9H,6H2,1-5H3,(H,11,12)
InChIKeyZYOVJGOLERXRPO-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]formamide
CID 87302736
N-[3-(methoxymethoxy)butan-2-yl]formamide
CID 126762871
1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine
CID 163765545
[(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
CID 154960601
[(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
CID 90422490
N-(1-methoxypentan-2-yl)formamide
CID 64991687
N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine
CID 115719163
2-formamido-5-methoxy-4-methylpentanoic acid
CID 116502113
tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
CID 66337596
tert-butyl N-[(2R,3R)-3-amino-1-methoxybutan-2-yl]carbamate
CID 131733528
1,3-dimethoxy-N,4,4-trimethylpentan-2-amine
CID 116724510
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide
CID 13227488

Frequently Asked Questions

What is the IUPAC name of N-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide?
The IUPAC name of N-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide (CID 142007053) is N-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide.
What is the SMILES notation for N-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide?
The canonical SMILES for N-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide is COCC(NC=O)C(C)OC(C)(C)C.
What is the InChIKey of N-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide?
The InChIKey is ZYOVJGOLERXRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(14-10(2,3)4)9(6-13-5)11-7-12/h7-9H,6H2,1-5H3,(H,11,12).
What are the key properties of N-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide?
N-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide has a molecular weight of 203.28 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide is sourced from PubChem (CID 142007053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).