3-hexoxy-N,N-di(propan-2-yl)propanamide

C15H31NO2 — CID 87235356

IUPAC3-hexoxy-N,N-di(propan-2-yl)propanamide
SMILESCCCCCCOCCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H31NO2/c1-6-7-8-9-11-18-12-10-15(17)16(13(2)3)14(4)5/h13-14H,6-12H2,1-5H3
InChIKeyRZCHCFKDFIUNKN-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.62
Rot. Bonds10

About 3-hexoxy-N,N-di(propan-2-yl)propanamide

3-hexoxy-N,N-di(propan-2-yl)propanamide (PubChem CID 87235356) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-hexoxy-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name3-hexoxy-N,N-di(propan-2-yl)propanamide
PubChem CID87235356
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name3-hexoxy-N,N-di(propan-2-yl)propanamide
SMILESCCCCCCOCCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H31NO2/c1-6-7-8-9-11-18-12-10-15(17)16(13(2)3)14(4)5/h13-14H,6-12H2,1-5H3
InChIKeyRZCHCFKDFIUNKN-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-octadecoxypropanamide
CID 155355336
N-ethyl-3-hexoxy-N-methylpropanamide
CID 87235746
4-nonoxybutan-2-one
CID 175477614
2-hexoxyethyl 2-methylpropanoate
CID 88618751
3-dodecoxypropanamide
CID 22235134
1-hexoxypentan-3-one
CID 88538290
3-(2-heptoxyethoxy)propanoic acid
CID 71368458
N,N-diethyl-4-hexoxybutanamide
CID 176838101
butan-2-yl 3-hexoxypropanoate
CID 59789565
3-dodecoxypropanamide;hydrobromide
CID 175357705
1,4-dioctoxybutan-2-one
CID 71375550
hexyl 3-heptoxypropanoate
CID 101325522

Frequently Asked Questions

What is the IUPAC name of 3-hexoxy-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 3-hexoxy-N,N-di(propan-2-yl)propanamide (CID 87235356) is 3-hexoxy-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 3-hexoxy-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 3-hexoxy-N,N-di(propan-2-yl)propanamide is CCCCCCOCCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 3-hexoxy-N,N-di(propan-2-yl)propanamide?
The InChIKey is RZCHCFKDFIUNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-7-8-9-11-18-12-10-15(17)16(13(2)3)14(4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of 3-hexoxy-N,N-di(propan-2-yl)propanamide?
3-hexoxy-N,N-di(propan-2-yl)propanamide has a molecular weight of 257.42 g/mol, XLogP of 3.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 87235356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).