N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide

C12H25N3O3 — CID 112683886

IUPACN-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
SMILESCCCCNC(=O)C(C)NCC(=O)NCCOC
InChIInChI=1S/C12H25N3O3/c1-4-5-6-14-12(17)10(2)15-9-11(16)13-7-8-18-3/h10,15H,4-9H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyRFUGFXAXZLPCBH-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.36
Rot. Bonds10

About N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide

N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide (PubChem CID 112683886) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
PubChem CID112683886
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC NameN-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
SMILESCCCCNC(=O)C(C)NCC(=O)NCCOC
InChIInChI=1S/C12H25N3O3/c1-4-5-6-14-12(17)10(2)15-9-11(16)13-7-8-18-3/h10,15H,4-9H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyRFUGFXAXZLPCBH-UHFFFAOYSA-N
XLogP-0.36
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(1-methoxypropan-2-ylamino)acetamide
CID 60672222
N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43420298
2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113407011
N-(2-methoxyethyl)-2-(nonylamino)propanamide
CID 115574851
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide
CID 113219588
2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 115574241
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate
CID 103868364
2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 60546576
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 115574236
N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 106246633

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide (CID 112683886) is N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide is CCCCNC(=O)C(C)NCC(=O)NCCOC.
What is the InChIKey of N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is RFUGFXAXZLPCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-4-5-6-14-12(17)10(2)15-9-11(16)13-7-8-18-3/h10,15H,4-9H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide?
N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 259.35 g/mol, XLogP of -0.36, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 112683886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).