2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide

C12H25N3O2 — CID 43420237

IUPAC2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide
SMILESCC(=O)NCCNC(C)C(=O)NCCC(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)5-6-15-12(17)10(3)13-7-8-14-11(4)16/h9-10,13H,5-8H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyYANZGNAJECKIII-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.26
Rot. Bonds8

About 2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide

2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide (PubChem CID 43420237) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide
PubChem CID43420237
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide
SMILESCC(=O)NCCNC(C)C(=O)NCCC(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)5-6-15-12(17)10(3)13-7-8-14-11(4)16/h9-10,13H,5-8H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyYANZGNAJECKIII-UHFFFAOYSA-N
XLogP0.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide
CID 108531294
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466192
2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
CID 43420238
2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide
CID 103520462
N-(3-methylbutyl)-2-(3-methylsulfinylbutylamino)propanamide
CID 113490444
2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide
CID 113494710
2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 62305792
2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide
CID 60745845
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide
CID 61022907
2-(2-cyclopentyloxyethylamino)-N-(3-methylbutyl)propanamide
CID 63828200

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide (CID 43420237) is 2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide is CC(=O)NCCNC(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide?
The InChIKey is YANZGNAJECKIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)5-6-15-12(17)10(3)13-7-8-14-11(4)16/h9-10,13H,5-8H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of 2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide?
2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide has a molecular weight of 243.35 g/mol, XLogP of 0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 43420237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).