3-amino-N,N-bis(2-ethoxyethyl)pentanamide

C13H28N2O3 — CID 82966276

IUPAC3-amino-N,N-bis(2-ethoxyethyl)pentanamide
SMILESCCOCCN(CCOCC)C(=O)CC(N)CC
InChIInChI=1S/C13H28N2O3/c1-4-12(14)11-13(16)15(7-9-17-5-2)8-10-18-6-3/h12H,4-11,14H2,1-3H3
InChIKeyNSPOHQNXMYHFCX-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.02
Rot. Bonds11

About 3-amino-N,N-bis(2-ethoxyethyl)pentanamide

3-amino-N,N-bis(2-ethoxyethyl)pentanamide (PubChem CID 82966276) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-N,N-bis(2-ethoxyethyl)pentanamide.

Molecular Properties

Compound Name3-amino-N,N-bis(2-ethoxyethyl)pentanamide
PubChem CID82966276
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name3-amino-N,N-bis(2-ethoxyethyl)pentanamide
SMILESCCOCCN(CCOCC)C(=O)CC(N)CC
InChIInChI=1S/C13H28N2O3/c1-4-12(14)11-13(16)15(7-9-17-5-2)8-10-18-6-3/h12H,4-11,14H2,1-3H3
InChIKeyNSPOHQNXMYHFCX-UHFFFAOYSA-N
XLogP1.02
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82964992
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82966284
(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide
CID 63690931
2-bromo-N,N-bis(2-ethoxyethyl)butanamide
CID 82966254
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylbutanamide
CID 79013546
(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide
CID 107569737
6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide
CID 82966076
2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
CID 63692347
(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
CID 103831646
N,N-bis(2-ethoxyethyl)-2,2-dimethylpropanamide
CID 82952265
ethyl 3-[bis(2-ethoxyethyl)amino]butanoate
CID 82951064

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(2-ethoxyethyl)pentanamide?
The IUPAC name of 3-amino-N,N-bis(2-ethoxyethyl)pentanamide (CID 82966276) is 3-amino-N,N-bis(2-ethoxyethyl)pentanamide.
What is the SMILES notation for 3-amino-N,N-bis(2-ethoxyethyl)pentanamide?
The canonical SMILES for 3-amino-N,N-bis(2-ethoxyethyl)pentanamide is CCOCCN(CCOCC)C(=O)CC(N)CC.
What is the InChIKey of 3-amino-N,N-bis(2-ethoxyethyl)pentanamide?
The InChIKey is NSPOHQNXMYHFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-4-12(14)11-13(16)15(7-9-17-5-2)8-10-18-6-3/h12H,4-11,14H2,1-3H3.
What are the key properties of 3-amino-N,N-bis(2-ethoxyethyl)pentanamide?
3-amino-N,N-bis(2-ethoxyethyl)pentanamide has a molecular weight of 260.38 g/mol, XLogP of 1.02, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(2-ethoxyethyl)pentanamide is sourced from PubChem (CID 82966276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).