N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide

C14H28N2O3 — CID 22280870

IUPACN-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide
SMILESCNC1CCC(OCCC(=O)N(C)CCCO)CC1
InChIInChI=1S/C14H28N2O3/c1-15-12-4-6-13(7-5-12)19-11-8-14(18)16(2)9-3-10-17/h12-13,15,17H,3-11H2,1-2H3
InChIKeyNRKBXGAAQUSGMX-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.76
Rot. Bonds8

About N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide

N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide (PubChem CID 22280870) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide
PubChem CID22280870
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide
SMILESCNC1CCC(OCCC(=O)N(C)CCCO)CC1
InChIInChI=1S/C14H28N2O3/c1-15-12-4-6-13(7-5-12)19-11-8-14(18)16(2)9-3-10-17/h12-13,15,17H,3-11H2,1-2H3
InChIKeyNRKBXGAAQUSGMX-UHFFFAOYSA-N
XLogP0.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide?
The IUPAC name of N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide (CID 22280870) is N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide is CNC1CCC(OCCC(=O)N(C)CCCO)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide?
The InChIKey is NRKBXGAAQUSGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-15-12-4-6-13(7-5-12)19-11-8-14(18)16(2)9-3-10-17/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide?
N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide has a molecular weight of 272.39 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide is sourced from PubChem (CID 22280870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).