2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide

C12H26N2O3 — CID 61274259

IUPAC2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide
SMILESCCC(C)NCC(=O)NCCCOCCOC
InChIInChI=1S/C12H26N2O3/c1-4-11(2)14-10-12(15)13-6-5-7-17-9-8-16-3/h11,14H,4-10H2,1-3H3,(H,13,15)
InChIKeyRRMARJLKOBALOX-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.54
Rot. Bonds11

About 2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide

2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide (PubChem CID 61274259) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide
PubChem CID61274259
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide
SMILESCCC(C)NCC(=O)NCCCOCCOC
InChIInChI=1S/C12H26N2O3/c1-4-11(2)14-10-12(15)13-6-5-7-17-9-8-16-3/h11,14H,4-10H2,1-3H3,(H,13,15)
InChIKeyRRMARJLKOBALOX-UHFFFAOYSA-N
XLogP0.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(butan-2-ylamino)-N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]acetamide
CID 155446032
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
N-butyl-2-(1-methoxypropan-2-ylamino)acetamide
CID 60672222
2-amino-N-[2-[3-(2-methoxyethoxy)propylamino]-2-oxoethyl]acetamide
CID 61274452
2-(butan-2-ylamino)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 60719966
N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
CID 112683886
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
2-(1-methoxypropan-2-ylamino)-N-propylacetamide
CID 43179596
N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide
CID 103409413
2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 89399442
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide
CID 79023229

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide (CID 61274259) is 2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide is CCC(C)NCC(=O)NCCCOCCOC.
What is the InChIKey of 2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide?
The InChIKey is RRMARJLKOBALOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-11(2)14-10-12(15)13-6-5-7-17-9-8-16-3/h11,14H,4-10H2,1-3H3,(H,13,15).
What are the key properties of 2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide?
2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide has a molecular weight of 246.35 g/mol, XLogP of 0.54, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[3-(2-methoxyethoxy)propyl]acetamide is sourced from PubChem (CID 61274259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).