N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride

C17H27ClN2O2 — CID 120649694

IUPACN-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)CC1CCOCC1
InChIInChI=1S/C17H26N2O2.ClH/c18-9-4-10-19(14-16-5-2-1-3-6-16)17(20)13-15-7-11-21-12-8-15;/h1-3,5-6,15H,4,7-14,18H2;1H
InChIKeyFFJVPHMXZXQKLH-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.60
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120649694) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120649694
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)CC1CCOCC1
InChIInChI=1S/C17H26N2O2.ClH/c18-9-4-10-19(14-16-5-2-1-3-6-16)17(20)13-15-7-11-21-12-8-15;/h1-3,5-6,15H,4,7-14,18H2;1H
InChIKeyFFJVPHMXZXQKLH-UHFFFAOYSA-N
XLogP2.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
CID 107366082
N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide
CID 120648101
N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide
CID 120649496
2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347295
N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide
CID 80662251
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzyl-2-(1-morpholin-4-ylcyclopentyl)acetamide
CID 120649063
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017
N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120649189
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
CID 120649057

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride (CID 120649694) is N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NCCCN(Cc1ccccc1)C(=O)CC1CCOCC1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is FFJVPHMXZXQKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c18-9-4-10-19(14-16-5-2-1-3-6-16)17(20)13-15-7-11-21-12-8-15;/h1-3,5-6,15H,4,7-14,18H2;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120649694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).