N'-(3-propoxypropyl)butanediamide

C10H20N2O3 — CID 153375512

IUPACN'-(3-propoxypropyl)butanediamide
SMILESCCCOCCCNC(=O)CCC(N)=O
InChIInChI=1S/C10H20N2O3/c1-2-7-15-8-3-6-12-10(14)5-4-9(11)13/h2-8H2,1H3,(H2,11,13)(H,12,14)
InChIKeyWJZPMGFSSLZHKI-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.18
Rot. Bonds9

About N'-(3-propoxypropyl)butanediamide

N'-(3-propoxypropyl)butanediamide (PubChem CID 153375512) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N'-(3-propoxypropyl)butanediamide.

Molecular Properties

Compound NameN'-(3-propoxypropyl)butanediamide
PubChem CID153375512
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN'-(3-propoxypropyl)butanediamide
SMILESCCCOCCCNC(=O)CCC(N)=O
InChIInChI=1S/C10H20N2O3/c1-2-7-15-8-3-6-12-10(14)5-4-9(11)13/h2-8H2,1H3,(H2,11,13)(H,12,14)
InChIKeyWJZPMGFSSLZHKI-UHFFFAOYSA-N
XLogP0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
N'-butylbutanediamide
CID 12550556
4-amino-N-(3-propoxypropyl)pentanamide
CID 82942655
5-oxo-5-(3-propoxypropylamino)pentanoic acid
CID 82941574
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
N'-dodecylbutanediamide
CID 19973702
N'-icosylbutanediamide
CID 175408923
2-methoxy-N-(3-propoxypropyl)acetamide
CID 82947081
disodium;hydride;N'-octadecylbutanediamide
CID 175169535
3-amino-3-methyl-N-(3-propoxypropyl)butanamide
CID 82940158
4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide
CID 82941851
4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide
CID 82941854

Frequently Asked Questions

What is the IUPAC name of N'-(3-propoxypropyl)butanediamide?
The IUPAC name of N'-(3-propoxypropyl)butanediamide (CID 153375512) is N'-(3-propoxypropyl)butanediamide.
What is the SMILES notation for N'-(3-propoxypropyl)butanediamide?
The canonical SMILES for N'-(3-propoxypropyl)butanediamide is CCCOCCCNC(=O)CCC(N)=O.
What is the InChIKey of N'-(3-propoxypropyl)butanediamide?
The InChIKey is WJZPMGFSSLZHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-7-15-8-3-6-12-10(14)5-4-9(11)13/h2-8H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N'-(3-propoxypropyl)butanediamide?
N'-(3-propoxypropyl)butanediamide has a molecular weight of 216.28 g/mol, XLogP of 0.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-propoxypropyl)butanediamide is sourced from PubChem (CID 153375512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).