N-dodecan-2-ylpropanamide

C15H31NO — CID 174988669

IUPACN-dodecan-2-ylpropanamide
SMILESCCCCCCCCCCC(C)NC(=O)CC
InChIInChI=1S/C15H31NO/c1-4-6-7-8-9-10-11-12-13-14(3)16-15(17)5-2/h14H,4-13H2,1-3H3,(H,16,17)
InChIKeyNQMFWGHYOJKTPB-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.43
Rot. Bonds11

About N-dodecan-2-ylpropanamide

N-dodecan-2-ylpropanamide (PubChem CID 174988669) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-dodecan-2-ylpropanamide.

Molecular Properties

Compound NameN-dodecan-2-ylpropanamide
PubChem CID174988669
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-dodecan-2-ylpropanamide
SMILESCCCCCCCCCCC(C)NC(=O)CC
InChIInChI=1S/C15H31NO/c1-4-6-7-8-9-10-11-12-13-14(3)16-15(17)5-2/h14H,4-13H2,1-3H3,(H,16,17)
InChIKeyNQMFWGHYOJKTPB-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
2-chloro-N-[(2R)-octan-2-yl]acetamide
CID 7131842
3-hydroxy-N-octadecan-2-ylhexadecanamide
CID 174499474
N-pentan-2-ylundecanamide
CID 173258559
3-amino-N-heptan-2-ylbutanamide
CID 60836862
N-(6-aminohexan-2-yl)octanamide
CID 123172105
3-amino-3-methyl-N-octan-2-ylbutanamide
CID 64684049
2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide
CID 71891384
N-hexan-2-ylbutanamide
CID 64592038
2-hydroxy-N-octadecan-2-ylpentadecanamide
CID 139787818
1-ethyl-3-[(2S)-octan-2-yl]urea
CID 94866604

Frequently Asked Questions

What is the IUPAC name of N-dodecan-2-ylpropanamide?
The IUPAC name of N-dodecan-2-ylpropanamide (CID 174988669) is N-dodecan-2-ylpropanamide.
What is the SMILES notation for N-dodecan-2-ylpropanamide?
The canonical SMILES for N-dodecan-2-ylpropanamide is CCCCCCCCCCC(C)NC(=O)CC.
What is the InChIKey of N-dodecan-2-ylpropanamide?
The InChIKey is NQMFWGHYOJKTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-6-7-8-9-10-11-12-13-14(3)16-15(17)5-2/h14H,4-13H2,1-3H3,(H,16,17).
What are the key properties of N-dodecan-2-ylpropanamide?
N-dodecan-2-ylpropanamide has a molecular weight of 241.42 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecan-2-ylpropanamide is sourced from PubChem (CID 174988669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).