N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide

C14H22N2O3 — CID 79725829

IUPACN-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide
SMILESCCCN(CCCN)C(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C14H22N2O3/c1-3-8-16(9-4-7-15)14(18)11-5-6-13(19-2)12(17)10-11/h5-6,10,17H,3-4,7-9,15H2,1-2H3
InChIKeyPXPUJEFSYLDMAD-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.60
Rot. Bonds7

About N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide

N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide (PubChem CID 79725829) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide
PubChem CID79725829
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide
SMILESCCCN(CCCN)C(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C14H22N2O3/c1-3-8-16(9-4-7-15)14(18)11-5-6-13(19-2)12(17)10-11/h5-6,10,17H,3-4,7-9,15H2,1-2H3
InChIKeyPXPUJEFSYLDMAD-UHFFFAOYSA-N
XLogP1.60
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 79725938
N-(2-bromoethyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 80660405
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202
N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604
3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 79672066
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide
CID 43136548
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274
N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide
CID 43136539
N-(3-aminopropyl)-2-hydroxy-4-methoxy-N-propylbenzamide
CID 43319215
N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79726380
4-amino-3-hydroxy-N,N-dipropylbenzamide
CID 22411148

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide?
The IUPAC name of N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide (CID 79725829) is N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide is CCCN(CCCN)C(=O)c1ccc(OC)c(O)c1.
What is the InChIKey of N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide?
The InChIKey is PXPUJEFSYLDMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-8-16(9-4-7-15)14(18)11-5-6-13(19-2)12(17)10-11/h5-6,10,17H,3-4,7-9,15H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide?
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide is sourced from PubChem (CID 79725829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).