N,N-bis(2-methylpropyl)-3-oxopropanamide

C11H21NO2 — CID 89208373

IUPACN,N-bis(2-methylpropyl)-3-oxopropanamide
SMILESCC(C)CN(CC(C)C)C(=O)CC=O
InChIInChI=1S/C11H21NO2/c1-9(2)7-12(8-10(3)4)11(14)5-6-13/h6,9-10H,5,7-8H2,1-4H3
InChIKeyWLXVVZTUVVSNOC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds6

About N,N-bis(2-methylpropyl)-3-oxopropanamide

N,N-bis(2-methylpropyl)-3-oxopropanamide (PubChem CID 89208373) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-3-oxopropanamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-3-oxopropanamide
PubChem CID89208373
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN,N-bis(2-methylpropyl)-3-oxopropanamide
SMILESCC(C)CN(CC(C)C)C(=O)CC=O
InChIInChI=1S/C11H21NO2/c1-9(2)7-12(8-10(3)4)11(14)5-6-13/h6,9-10H,5,7-8H2,1-4H3
InChIKeyWLXVVZTUVVSNOC-UHFFFAOYSA-N
XLogP1.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
2-cyclopentyl-N,N-bis(2-methylpropyl)acetamide
CID 78797313
3-amino-N,N-bis(2-methylpropyl)propanamide;hydrochloride
CID 119261436
3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide
CID 168926967
2-amino-N-(2-hydroxypropyl)-N-(2-methylpropyl)acetamide
CID 170614362
2-[4-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 5165157
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63645438
N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595
3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466543
2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid
CID 82323302
S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese
CID 88818458
S-ethyl N,N-bis(2-methylpropyl)carbamothioate;titanium
CID 87157632

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-3-oxopropanamide?
The IUPAC name of N,N-bis(2-methylpropyl)-3-oxopropanamide (CID 89208373) is N,N-bis(2-methylpropyl)-3-oxopropanamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-3-oxopropanamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-3-oxopropanamide is CC(C)CN(CC(C)C)C(=O)CC=O.
What is the InChIKey of N,N-bis(2-methylpropyl)-3-oxopropanamide?
The InChIKey is WLXVVZTUVVSNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)7-12(8-10(3)4)11(14)5-6-13/h6,9-10H,5,7-8H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-3-oxopropanamide?
N,N-bis(2-methylpropyl)-3-oxopropanamide has a molecular weight of 199.29 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-3-oxopropanamide is sourced from PubChem (CID 89208373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).