2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide

C11H25N3O3 — CID 103390835

IUPAC2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC(CCCN)COC
InChIInChI=1S/C11H25N3O3/c1-16-7-6-13-11(15)8-14-10(9-17-2)4-3-5-12/h10,14H,3-9,12H2,1-2H3,(H,13,15)
InChIKeyURUUIFTTWVIIPP-UHFFFAOYSA-N
MW247.34 g/mol
LogP-0.91
Rot. Bonds11

About 2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide

2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 103390835) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID103390835
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC Name2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC(CCCN)COC
InChIInChI=1S/C11H25N3O3/c1-16-7-6-13-11(15)8-14-10(9-17-2)4-3-5-12/h10,14H,3-9,12H2,1-2H3,(H,13,15)
InChIKeyURUUIFTTWVIIPP-UHFFFAOYSA-N
XLogP-0.91
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 106159877
5-methoxy-4-N-[2-(2-methoxyethoxy)ethyl]pentane-1,4-diamine
CID 103389661
methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate
CID 103868364
tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]carbamate
CID 107241392
5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
CID 103390928
tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate
CID 107257458
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 115733671
2-(1-methoxyhexan-2-ylamino)-N-methylacetamide
CID 115706822
3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol
CID 103390268
2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 126007916
N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
CID 112683886
tert-butyl N-[5-methoxy-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentyl]carbamate
CID 103387888

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide (CID 103390835) is 2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNC(CCCN)COC.
What is the InChIKey of 2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is URUUIFTTWVIIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c1-16-7-6-13-11(15)8-14-10(9-17-2)4-3-5-12/h10,14H,3-9,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 247.34 g/mol, XLogP of -0.91, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 103390835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).