N,N-dimethyl-3-propoxypropanamide

C8H17NO2 — CID 64591697

IUPACN,N-dimethyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(C)C
InChIInChI=1S/C8H17NO2/c1-4-6-11-7-5-8(10)9(2)3/h4-7H2,1-3H3
InChIKeyJQWPPDGADWFYGM-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.89
Rot. Bonds5

About N,N-dimethyl-3-propoxypropanamide

N,N-dimethyl-3-propoxypropanamide (PubChem CID 64591697) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N,N-dimethyl-3-propoxypropanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-propoxypropanamide
PubChem CID64591697
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN,N-dimethyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(C)C
InChIInChI=1S/C8H17NO2/c1-4-6-11-7-5-8(10)9(2)3/h4-7H2,1-3H3
InChIKeyJQWPPDGADWFYGM-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.89
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

Propanamide, 3-methoxy-N,N-dimethyl-
CID 104427
3-Ethoxy-N,N-diethylpropanamide
CID 63184708
3-Butoxy-N,N-dimethylpropanamide
CID 54576648
3-ethoxy-N,N-dipropylpropanamide
CID 346805
[3-(Dimethylamino)-3-oxopropyl] acetate
CID 131851081
3-(2,2-difluoroethoxy)-N,N-dimethylpropanamide
CID 103208961
3-ethoxy-N,N-dipentylpropanamide
CID 347001
Propanamide, 3-(hexyloxy)-N,N-dimethyl-
CID 11557491
N,N-Diethyl-3-methoxy-propionamide
CID 11961971
3-methoxy-N,N-dipropylpropanamide
CID 14669956
N-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide
CID 21026432
3-methoxy-N,N-di(propan-2-yl)propanamide
CID 22975541

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propoxypropanamide?
The IUPAC name of N,N-dimethyl-3-propoxypropanamide (CID 64591697) is N,N-dimethyl-3-propoxypropanamide.
What is the SMILES notation for N,N-dimethyl-3-propoxypropanamide?
The canonical SMILES for N,N-dimethyl-3-propoxypropanamide is CCCOCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-propoxypropanamide?
The InChIKey is JQWPPDGADWFYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-6-11-7-5-8(10)9(2)3/h4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-3-propoxypropanamide?
N,N-dimethyl-3-propoxypropanamide has a molecular weight of 159.23 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propoxypropanamide is sourced from PubChem (CID 64591697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).