N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide

C14H22N2O3 — CID 43136539

IUPACN-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide
SMILESCCCN(CCCN)C(=O)c1cccc(OC)c1O
InChIInChI=1S/C14H22N2O3/c1-3-9-16(10-5-8-15)14(18)11-6-4-7-12(19-2)13(11)17/h4,6-7,17H,3,5,8-10,15H2,1-2H3
InChIKeySTFXKRQGPCAWSM-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.60
Rot. Bonds7

About N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide

N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide (PubChem CID 43136539) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide
PubChem CID43136539
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide
SMILESCCCN(CCCN)C(=O)c1cccc(OC)c1O
InChIInChI=1S/C14H22N2O3/c1-3-9-16(10-5-8-15)14(18)11-6-4-7-12(19-2)13(11)17/h4,6-7,17H,3,5,8-10,15H2,1-2H3
InChIKeySTFXKRQGPCAWSM-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

2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide
CID 60655994
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide
CID 65434746
N-(3-aminopropyl)-2-hydroxy-4-methoxy-N-propylbenzamide
CID 43319215
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 79725829
N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604
2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 107433916
N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 113281479
N-(3-aminopropyl)-N-propylquinoline-8-carboxamide
CID 62849856
N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
CID 61348969
2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide
CID 113239185
2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924906

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide?
The IUPAC name of N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide (CID 43136539) is N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide is CCCN(CCCN)C(=O)c1cccc(OC)c1O.
What is the InChIKey of N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide?
The InChIKey is STFXKRQGPCAWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-9-16(10-5-8-15)14(18)11-6-4-7-12(19-2)13(11)17/h4,6-7,17H,3,5,8-10,15H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide?
N-(3-aminopropyl)-2-hydroxy-3-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)-2-hydroxy-3-methoxy-N-propylbenzamide is sourced from PubChem (CID 43136539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).