2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide

C11H25N3O2 — CID 61477002

IUPAC2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC(O)CN(C)C
InChIInChI=1S/C11H25N3O2/c1-5-6-12-11(16)9(2)13-7-10(15)8-14(3)4/h9-10,13,15H,5-8H2,1-4H3,(H,12,16)
InChIKeyJEOZCTUZBSENED-UHFFFAOYSA-N
MW231.34 g/mol
LogP-0.59
Rot. Bonds8

About 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide

2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide (PubChem CID 61477002) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide
PubChem CID61477002
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC(O)CN(C)C
InChIInChI=1S/C11H25N3O2/c1-5-6-12-11(16)9(2)13-7-10(15)8-14(3)4/h9-10,13,15H,5-8H2,1-4H3,(H,12,16)
InChIKeyJEOZCTUZBSENED-UHFFFAOYSA-N
XLogP-0.59
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxybutylamino)-N-propylpropanamide
CID 64913708
2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide
CID 63966960
2-(2-cyanopropylamino)-N-propylpropanamide
CID 61477003
2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide
CID 60695704
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-propylpropanamide
CID 60677309
1-(dimethylamino)-3-(hexan-3-ylamino)propan-2-ol
CID 62118939
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide
CID 62976116
2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide
CID 54950828
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
1-(butylamino)-3-(dimethylamino)propan-2-ol
CID 60897874
(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
CID 9207769
N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 114168386

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide (CID 61477002) is 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NCC(O)CN(C)C.
What is the InChIKey of 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide?
The InChIKey is JEOZCTUZBSENED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-5-6-12-11(16)9(2)13-7-10(15)8-14(3)4/h9-10,13,15H,5-8H2,1-4H3,(H,12,16).
What are the key properties of 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide?
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide has a molecular weight of 231.34 g/mol, XLogP of -0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide is sourced from PubChem (CID 61477002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).