3-[(3-butoxy-2-hydroxypropyl)amino]propanamide

C10H22N2O3 — CID 107262577

IUPAC3-[(3-butoxy-2-hydroxypropyl)amino]propanamide
SMILESCCCCOCC(O)CNCCC(N)=O
InChIInChI=1S/C10H22N2O3/c1-2-3-6-15-8-9(13)7-12-5-4-10(11)14/h9,12-13H,2-8H2,1H3,(H2,11,14)
InChIKeyPHSJJRYKEMEAIT-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.37
Rot. Bonds10

About 3-[(3-butoxy-2-hydroxypropyl)amino]propanamide

3-[(3-butoxy-2-hydroxypropyl)amino]propanamide (PubChem CID 107262577) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[(3-butoxy-2-hydroxypropyl)amino]propanamide.

Molecular Properties

Compound Name3-[(3-butoxy-2-hydroxypropyl)amino]propanamide
PubChem CID107262577
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name3-[(3-butoxy-2-hydroxypropyl)amino]propanamide
SMILESCCCCOCC(O)CNCCC(N)=O
InChIInChI=1S/C10H22N2O3/c1-2-3-6-15-8-9(13)7-12-5-4-10(11)14/h9,12-13H,2-8H2,1H3,(H2,11,14)
InChIKeyPHSJJRYKEMEAIT-UHFFFAOYSA-N
XLogP-0.37
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.37
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

4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide
CID 60910580
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide
CID 107263051
2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
CID 83209945
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
2-[(3-butoxy-2-hydroxypropyl)amino]ethylphosphonic acid
CID 175621225
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
CID 60909126
4-[(3-butoxy-2-hydroxypropyl)amino]-1-methoxybutan-2-ol
CID 106246483

Frequently Asked Questions

What is the IUPAC name of 3-[(3-butoxy-2-hydroxypropyl)amino]propanamide?
The IUPAC name of 3-[(3-butoxy-2-hydroxypropyl)amino]propanamide (CID 107262577) is 3-[(3-butoxy-2-hydroxypropyl)amino]propanamide.
What is the SMILES notation for 3-[(3-butoxy-2-hydroxypropyl)amino]propanamide?
The canonical SMILES for 3-[(3-butoxy-2-hydroxypropyl)amino]propanamide is CCCCOCC(O)CNCCC(N)=O.
What is the InChIKey of 3-[(3-butoxy-2-hydroxypropyl)amino]propanamide?
The InChIKey is PHSJJRYKEMEAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-2-3-6-15-8-9(13)7-12-5-4-10(11)14/h9,12-13H,2-8H2,1H3,(H2,11,14).
What are the key properties of 3-[(3-butoxy-2-hydroxypropyl)amino]propanamide?
3-[(3-butoxy-2-hydroxypropyl)amino]propanamide has a molecular weight of 218.30 g/mol, XLogP of -0.37, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-butoxy-2-hydroxypropyl)amino]propanamide is sourced from PubChem (CID 107262577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).