N-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide

C10H19NO3 — CID 174339131

IUPACN-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide
SMILESCC(C)CON(C=O)[C@H](C=O)C(C)C
InChIInChI=1S/C10H19NO3/c1-8(2)6-14-11(7-13)10(5-12)9(3)4/h5,7-10H,6H2,1-4H3/t10-/m1/s1
InChIKeyHOIQHFZRZCPVBA-SNVBAGLBSA-N
MW201.27 g/mol
LogP1.26
Rot. Bonds7

About N-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide

N-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide (PubChem CID 174339131) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide
PubChem CID174339131
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide
SMILESCC(C)CON(C=O)[C@H](C=O)C(C)C
InChIInChI=1S/C10H19NO3/c1-8(2)6-14-11(7-13)10(5-12)9(3)4/h5,7-10H,6H2,1-4H3/t10-/m1/s1
InChIKeyHOIQHFZRZCPVBA-SNVBAGLBSA-N
XLogP1.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-(2-methylpropoxy)-N-propan-2-ylpropan-2-amine
CID 19988564
1,1,3-trimethyl-3-(3-methyl-1-oxobutan-2-yl)urea
CID 156736454
N-[(3R)-3-[ethyl(methyl)amino]-1-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]-N-methylformamide
CID 144914010
3-methyl-2-[methyl-[2-[2-(methylamino)ethoxy]ethyl]amino]butanal
CID 144736647
tert-butyl N-methyl-N-(3-methyl-1-oxobutan-2-yl)carbamate
CID 22055359
3-methyl-2-(2-oxoethoxy)butanal
CID 88894798
N,N-bis(4-methylpentan-2-yl)formamide
CID 57421709
acetic acid;2-methyl-1-(2-methylpropoxy)propane
CID 87879635
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
bis(2-methylpropoxy)methylsilane
CID 123767341
2-[2-[4-[amino(methyl)amino]phenyl]ethyl-methylamino]-3-methylbutanal
CID 167282035

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide (CID 174339131) is N-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide is CC(C)CON(C=O)[C@H](C=O)C(C)C.
What is the InChIKey of N-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide?
The InChIKey is HOIQHFZRZCPVBA-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)6-14-11(7-13)10(5-12)9(3)4/h5,7-10H,6H2,1-4H3/t10-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide?
N-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide has a molecular weight of 201.27 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(2-methylpropoxy)formamide is sourced from PubChem (CID 174339131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).