N-(4-methoxy-2-methylbutyl)formamide

C7H15NO2 — CID 91122116

IUPACN-(4-methoxy-2-methylbutyl)formamide
SMILESCOCCC(C)CNC=O
InChIInChI=1S/C7H15NO2/c1-7(3-4-10-2)5-8-6-9/h6-7H,3-5H2,1-2H3,(H,8,9)
InChIKeyPQBPQDNKXBNFAX-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.41
Rot. Bonds6

About N-(4-methoxy-2-methylbutyl)formamide

N-(4-methoxy-2-methylbutyl)formamide (PubChem CID 91122116) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(4-methoxy-2-methylbutyl)formamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylbutyl)formamide
PubChem CID91122116
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(4-methoxy-2-methylbutyl)formamide
SMILESCOCCC(C)CNC=O
InChIInChI=1S/C7H15NO2/c1-7(3-4-10-2)5-8-6-9/h6-7H,3-5H2,1-2H3,(H,8,9)
InChIKeyPQBPQDNKXBNFAX-UHFFFAOYSA-N
XLogP0.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylnonyl)formamide
CID 146433499
bis(4-methoxy-2-methylbutyl) butanedioate
CID 91701480
N-(4-hydroxy-2-methylpentyl)formamide
CID 130972750
2-formamido-5-methoxy-4-methylpentanoic acid
CID 116502113
N-[(2S)-1-methoxypropan-2-yl]formamide
CID 87302736
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
CID 79568933
methyl (4R)-6-methoxy-4-methylhexanoate
CID 10931927
N-(3-hydroxy-4-methoxybutyl)formamide
CID 106243326
bis(5-methoxy-3-methylpentyl) (E)-but-2-enedioate
CID 91705591
(4-methoxy-3-methylbutyl) dimethyl phosphate
CID 134463907
1-methoxy-3,10-dimethylundecane
CID 154134706
ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine
CID 163400199

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylbutyl)formamide?
The IUPAC name of N-(4-methoxy-2-methylbutyl)formamide (CID 91122116) is N-(4-methoxy-2-methylbutyl)formamide.
What is the SMILES notation for N-(4-methoxy-2-methylbutyl)formamide?
The canonical SMILES for N-(4-methoxy-2-methylbutyl)formamide is COCCC(C)CNC=O.
What is the InChIKey of N-(4-methoxy-2-methylbutyl)formamide?
The InChIKey is PQBPQDNKXBNFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(3-4-10-2)5-8-6-9/h6-7H,3-5H2,1-2H3,(H,8,9).
What are the key properties of N-(4-methoxy-2-methylbutyl)formamide?
N-(4-methoxy-2-methylbutyl)formamide has a molecular weight of 145.20 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylbutyl)formamide is sourced from PubChem (CID 91122116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).