4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide

C13H29N3O2 — CID 114227632

IUPAC4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide
SMILESCCCN(CC)CCNC(=O)CC(CN)OCC
InChIInChI=1S/C13H29N3O2/c1-4-8-16(5-2)9-7-15-13(17)10-12(11-14)18-6-3/h12H,4-11,14H2,1-3H3,(H,15,17)
InChIKeyMPJZCLZJHZHBFT-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.59
Rot. Bonds11

About 4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide

4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide (PubChem CID 114227632) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide.

Molecular Properties

Compound Name4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide
PubChem CID114227632
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide
SMILESCCCN(CC)CCNC(=O)CC(CN)OCC
InChIInChI=1S/C13H29N3O2/c1-4-8-16(5-2)9-7-15-13(17)10-12(11-14)18-6-3/h12H,4-11,14H2,1-3H3,(H,15,17)
InChIKeyMPJZCLZJHZHBFT-UHFFFAOYSA-N
XLogP0.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate
CID 113247689
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
CID 81070117
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide
CID 103814926
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate
CID 104917991
2-cyano-N-[2-[ethyl(propyl)amino]ethyl]acetamide
CID 104919958
N-[2-[ethyl(propyl)amino]ethyl]-2,2-difluoroacetamide
CID 107168084
(2S)-2-amino-4-[2-(diethylamino)ethylamino]-4-oxobutanoic acid
CID 131886463
4-amino-N-[2-[ethyl(propyl)amino]ethyl]-4-methylpentanamide
CID 103814940
2-[(3-amino-2-ethoxypropyl)-propylamino]ethanol
CID 63070050
3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid
CID 114227468
4-amino-N-(2-ethoxypropyl)-3-methoxybutanamide
CID 103156665

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide?
The IUPAC name of 4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide (CID 114227632) is 4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide.
What is the SMILES notation for 4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide?
The canonical SMILES for 4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide is CCCN(CC)CCNC(=O)CC(CN)OCC.
What is the InChIKey of 4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide?
The InChIKey is MPJZCLZJHZHBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-4-8-16(5-2)9-7-15-13(17)10-12(11-14)18-6-3/h12H,4-11,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide?
4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide has a molecular weight of 259.39 g/mol, XLogP of 0.59, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide is sourced from PubChem (CID 114227632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).