N-(3-butoxypropyl)-2-(propylamino)acetamide

C12H26N2O2 — CID 115574332

IUPACN-(3-butoxypropyl)-2-(propylamino)acetamide
SMILESCCCCOCCCNC(=O)CNCCC
InChIInChI=1S/C12H26N2O2/c1-3-5-9-16-10-6-8-14-12(15)11-13-7-4-2/h13H,3-11H2,1-2H3,(H,14,15)
InChIKeyKCACBMKDTCVKTO-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.31
Rot. Bonds11

About N-(3-butoxypropyl)-2-(propylamino)acetamide

N-(3-butoxypropyl)-2-(propylamino)acetamide (PubChem CID 115574332) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-(propylamino)acetamide
PubChem CID115574332
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(3-butoxypropyl)-2-(propylamino)acetamide
SMILESCCCCOCCCNC(=O)CNCCC
InChIInChI=1S/C12H26N2O2/c1-3-5-9-16-10-6-8-14-12(15)11-13-7-4-2/h13H,3-11H2,1-2H3,(H,14,15)
InChIKeyKCACBMKDTCVKTO-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-butoxypropyl)-2-(propylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(3-propoxypropylamino)acetamide
CID 82943813
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
N-pentyl-2-(pentylamino)acetamide
CID 109005932
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
N-(2-butoxyethyl)-2-(methylamino)acetamide
CID 61175686
N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-methylpropylamino)acetamide
CID 156547181
N-(3-butoxypropyl)-2-(cyclopentylamino)acetamide
CID 113219331
2-[2-(3-butoxypropylamino)-2-oxoethyl]sulfanylacetic acid
CID 104588449
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953
N-(3-butoxypropyl)-2-cyclopentylacetamide
CID 78785153
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
N-(3-butoxypropyl)-5-hydroxypentanamide
CID 115886729

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-(propylamino)acetamide?
The IUPAC name of N-(3-butoxypropyl)-2-(propylamino)acetamide (CID 115574332) is N-(3-butoxypropyl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-(propylamino)acetamide?
The canonical SMILES for N-(3-butoxypropyl)-2-(propylamino)acetamide is CCCCOCCCNC(=O)CNCCC.
What is the InChIKey of N-(3-butoxypropyl)-2-(propylamino)acetamide?
The InChIKey is KCACBMKDTCVKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-5-9-16-10-6-8-14-12(15)11-13-7-4-2/h13H,3-11H2,1-2H3,(H,14,15).
What are the key properties of N-(3-butoxypropyl)-2-(propylamino)acetamide?
N-(3-butoxypropyl)-2-(propylamino)acetamide has a molecular weight of 230.35 g/mol, XLogP of 1.31, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-(propylamino)acetamide is sourced from PubChem (CID 115574332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).