N-(2-oxopropyl)-N-propan-2-ylformamide

C7H13NO2 — CID 91405611

IUPACN-(2-oxopropyl)-N-propan-2-ylformamide
SMILESCC(=O)CN(C=O)C(C)C
InChIInChI=1S/C7H13NO2/c1-6(2)8(5-9)4-7(3)10/h5-6H,4H2,1-3H3
InChIKeyRDPOHHPLBIGHLM-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.44
Rot. Bonds4

About N-(2-oxopropyl)-N-propan-2-ylformamide

N-(2-oxopropyl)-N-propan-2-ylformamide (PubChem CID 91405611) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(2-oxopropyl)-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-(2-oxopropyl)-N-propan-2-ylformamide
PubChem CID91405611
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(2-oxopropyl)-N-propan-2-ylformamide
SMILESCC(=O)CN(C=O)C(C)C
InChIInChI=1S/C7H13NO2/c1-6(2)8(5-9)4-7(3)10/h5-6H,4H2,1-3H3
InChIKeyRDPOHHPLBIGHLM-UHFFFAOYSA-N
XLogP0.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-oxopropyl(propan-2-yl)amino]propan-2-one
CID 59404270
ethane;1-[methyl(propan-2-yl)amino]propan-2-one
CID 178033962
N-(2-aminoethyl)-N-propan-2-ylformamide
CID 82502410
N-carbamoyl-N-(2-oxopropyl)formamide
CID 22614022
2-[formyl(2-oxopropyl)amino]acetic acid
CID 121285927
1-[propan-2-yl(propyl)amino]propan-2-one
CID 43795396
1-[bis(2-oxopropyl)amino]propan-2-one;hydrate
CID 88695571
N-[(E)-2-(2-butan-2-ylphenyl)but-2-enyl]-N-propan-2-ylformamide
CID 126583594
2-[methyl(2-oxopropyl)amino]propanoic acid
CID 59576342
1-[3-aminopropyl(propan-2-yl)amino]propan-2-one
CID 89029623
N-[3-oxobutanoyl(propan-2-yl)amino]formamide
CID 5064704
3-[2-oxopropyl(propan-2-yl)amino]propanenitrile
CID 62036211

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopropyl)-N-propan-2-ylformamide?
The IUPAC name of N-(2-oxopropyl)-N-propan-2-ylformamide (CID 91405611) is N-(2-oxopropyl)-N-propan-2-ylformamide.
What is the SMILES notation for N-(2-oxopropyl)-N-propan-2-ylformamide?
The canonical SMILES for N-(2-oxopropyl)-N-propan-2-ylformamide is CC(=O)CN(C=O)C(C)C.
What is the InChIKey of N-(2-oxopropyl)-N-propan-2-ylformamide?
The InChIKey is RDPOHHPLBIGHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(2)8(5-9)4-7(3)10/h5-6H,4H2,1-3H3.
What are the key properties of N-(2-oxopropyl)-N-propan-2-ylformamide?
N-(2-oxopropyl)-N-propan-2-ylformamide has a molecular weight of 143.19 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopropyl)-N-propan-2-ylformamide is sourced from PubChem (CID 91405611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).