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

C14H22N2O2 — CID 43136604

IUPACN-(3-aminopropyl)-4-methoxy-N-propylbenzamide
SMILESCCCN(CCCN)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-10-16(11-4-9-15)14(17)12-5-7-13(18-2)8-6-12/h5-8H,3-4,9-11,15H2,1-2H3
InChIKeyGUTYVMHJVVWLIP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.90
Rot. Bonds7

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

N-(3-aminopropyl)-4-methoxy-N-propylbenzamide (PubChem CID 43136604) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-methoxy-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-methoxy-N-propylbenzamide
PubChem CID43136604
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-aminopropyl)-4-methoxy-N-propylbenzamide
SMILESCCCN(CCCN)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-10-16(11-4-9-15)14(17)12-5-7-13(18-2)8-6-12/h5-8H,3-4,9-11,15H2,1-2H3
InChIKeyGUTYVMHJVVWLIP-UHFFFAOYSA-N
XLogP1.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
N,N-dibutyl-4-methoxybenzamide
CID 2163395
N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide
CID 79667923
N-(3-aminopropyl)-2-hydroxy-4-methoxy-N-propylbenzamide
CID 43319215
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 79725829
N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide
CID 18736088
N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide
CID 43136548
N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide
CID 43136784
4-amino-N-butyl-N-propylbenzamide
CID 127119640
4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide
CID 1377997
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 63287136

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-methoxy-N-propylbenzamide?
The IUPAC name of N-(3-aminopropyl)-4-methoxy-N-propylbenzamide (CID 43136604) is N-(3-aminopropyl)-4-methoxy-N-propylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-methoxy-N-propylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-4-methoxy-N-propylbenzamide is CCCN(CCCN)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-methoxy-N-propylbenzamide?
The InChIKey is GUTYVMHJVVWLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-10-16(11-4-9-15)14(17)12-5-7-13(18-2)8-6-12/h5-8H,3-4,9-11,15H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-4-methoxy-N-propylbenzamide?
N-(3-aminopropyl)-4-methoxy-N-propylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-methoxy-N-propylbenzamide is sourced from PubChem (CID 43136604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).