3-oxo-N-pentyl-N-propan-2-ylbutanamide

C12H23NO2 — CID 60952085

IUPAC3-oxo-N-pentyl-N-propan-2-ylbutanamide
SMILESCCCCCN(C(=O)CC(C)=O)C(C)C
InChIInChI=1S/C12H23NO2/c1-5-6-7-8-13(10(2)3)12(15)9-11(4)14/h10H,5-9H2,1-4H3
InChIKeyBLYYYNJZCZNXEZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.39
Rot. Bonds7

About 3-oxo-N-pentyl-N-propan-2-ylbutanamide

3-oxo-N-pentyl-N-propan-2-ylbutanamide (PubChem CID 60952085) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-oxo-N-pentyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-oxo-N-pentyl-N-propan-2-ylbutanamide
PubChem CID60952085
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-oxo-N-pentyl-N-propan-2-ylbutanamide
SMILESCCCCCN(C(=O)CC(C)=O)C(C)C
InChIInChI=1S/C12H23NO2/c1-5-6-7-8-13(10(2)3)12(15)9-11(4)14/h10H,5-9H2,1-4H3
InChIKeyBLYYYNJZCZNXEZ-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039653
N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide
CID 82948688
octadecyl(propan-2-yl)carbamothioic S-acid
CID 87780649
1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea
CID 116654960
butyl(propan-2-yl)carbamic acid
CID 87287717
2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide
CID 63612231
2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide
CID 64686254
N-butan-2-yl-N-ethyl-3-oxobutanamide
CID 43274631
N-butyl-N-methyl-3-oxobutanamide
CID 60934379
3-ethyl-1-pentyl-1-propan-2-ylthiourea
CID 115594194
N-pentyl-N-propan-2-ylethanimidamide
CID 63173308
zinc;N-octadecyl-N-propan-2-ylcarbamothioate;carbamothioate
CID 87780648

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-pentyl-N-propan-2-ylbutanamide?
The IUPAC name of 3-oxo-N-pentyl-N-propan-2-ylbutanamide (CID 60952085) is 3-oxo-N-pentyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-oxo-N-pentyl-N-propan-2-ylbutanamide?
The canonical SMILES for 3-oxo-N-pentyl-N-propan-2-ylbutanamide is CCCCCN(C(=O)CC(C)=O)C(C)C.
What is the InChIKey of 3-oxo-N-pentyl-N-propan-2-ylbutanamide?
The InChIKey is BLYYYNJZCZNXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-6-7-8-13(10(2)3)12(15)9-11(4)14/h10H,5-9H2,1-4H3.
What are the key properties of 3-oxo-N-pentyl-N-propan-2-ylbutanamide?
3-oxo-N-pentyl-N-propan-2-ylbutanamide has a molecular weight of 213.32 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-pentyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 60952085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).