N-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide

C12H27N3O3 — CID 54993665

IUPACN-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide
SMILESCOCC(O)CN(C)CCC(=O)N(C)CCCN
InChIInChI=1S/C12H27N3O3/c1-14(9-11(16)10-18-3)8-5-12(17)15(2)7-4-6-13/h11,16H,4-10,13H2,1-3H3
InChIKeyHPZGNNLDRCVBEL-UHFFFAOYSA-N
MW261.37 g/mol
LogP-0.88
Rot. Bonds10

About N-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide

N-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide (PubChem CID 54993665) has the molecular formula C12H27N3O3 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide
PubChem CID54993665
Molecular FormulaC12H27N3O3
Molecular Weight261.37 g/mol
Exact Mass261.21
IUPAC NameN-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide
SMILESCOCC(O)CN(C)CCC(=O)N(C)CCCN
InChIInChI=1S/C12H27N3O3/c1-14(9-11(16)10-18-3)8-5-12(17)15(2)7-4-6-13/h11,16H,4-10,13H2,1-3H3
InChIKeyHPZGNNLDRCVBEL-UHFFFAOYSA-N
XLogP-0.88
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide (CID 54993665) is N-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide is COCC(O)CN(C)CCC(=O)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide?
The InChIKey is HPZGNNLDRCVBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3/c1-14(9-11(16)10-18-3)8-5-12(17)15(2)7-4-6-13/h11,16H,4-10,13H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide?
N-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide has a molecular weight of 261.37 g/mol, XLogP of -0.88, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 54993665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).