N-butyl-3,3-dimethoxypropanamide

C9H19NO3 — CID 138705714

IUPACN-butyl-3,3-dimethoxypropanamide
SMILESCCCCNC(=O)CC(OC)OC
InChIInChI=1S/C9H19NO3/c1-4-5-6-10-8(11)7-9(12-2)13-3/h9H,4-7H2,1-3H3,(H,10,11)
InChIKeyAVWQNNHBCFWBMZ-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.91
Rot. Bonds7

About N-butyl-3,3-dimethoxypropanamide

N-butyl-3,3-dimethoxypropanamide (PubChem CID 138705714) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-butyl-3,3-dimethoxypropanamide.

Molecular Properties

Compound NameN-butyl-3,3-dimethoxypropanamide
PubChem CID138705714
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-butyl-3,3-dimethoxypropanamide
SMILESCCCCNC(=O)CC(OC)OC
InChIInChI=1S/C9H19NO3/c1-4-5-6-10-8(11)7-9(12-2)13-3/h9H,4-7H2,1-3H3,(H,10,11)
InChIKeyAVWQNNHBCFWBMZ-UHFFFAOYSA-N
XLogP0.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-(ethylamino)butanamide
CID 62838234
N-butyl-3,3-bis(diethoxyphosphoryl)propanamide
CID 19689044
N'-butyl-2-hydroxybutanediamide
CID 88532748
3-(aminomethyl)-N-butylpentanamide
CID 81071551
N-butyl-N'-pentylpropanediamide
CID 89202031
N-butyl-3-oxobutanamide
CID 5161533
methyl 4-[[3-(butylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 159597212
N-butyl-1-phosphanylformamide
CID 89204579
1-octadecoxy-4-(octadecylamino)-1,4-dioxobutane-2-sulfonic acid
CID 162507978
N-butyl-2-(1-methoxypropan-2-ylamino)acetamide
CID 60672222
phosphanyl N-butylcarbamate
CID 89204581
N-butyl-2-sulfanylacetamide;propane
CID 153354639

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3-dimethoxypropanamide?
The IUPAC name of N-butyl-3,3-dimethoxypropanamide (CID 138705714) is N-butyl-3,3-dimethoxypropanamide.
What is the SMILES notation for N-butyl-3,3-dimethoxypropanamide?
The canonical SMILES for N-butyl-3,3-dimethoxypropanamide is CCCCNC(=O)CC(OC)OC.
What is the InChIKey of N-butyl-3,3-dimethoxypropanamide?
The InChIKey is AVWQNNHBCFWBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-5-6-10-8(11)7-9(12-2)13-3/h9H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-butyl-3,3-dimethoxypropanamide?
N-butyl-3,3-dimethoxypropanamide has a molecular weight of 189.25 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-dimethoxypropanamide is sourced from PubChem (CID 138705714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).