N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide

C19H29N3O2 — CID 120648217

IUPACN-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide
SMILESNCCCN(Cc1ccccc1)C(=O)CN1CCCCCCC1=O
InChIInChI=1S/C19H29N3O2/c20-12-8-14-21(15-17-9-4-3-5-10-17)19(24)16-22-13-7-2-1-6-11-18(22)23/h3-5,9-10H,1-2,6-8,11-16,20H2
InChIKeyUOYWPQRVCHGBML-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.16
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide

N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide (PubChem CID 120648217) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide
PubChem CID120648217
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide
SMILESNCCCN(Cc1ccccc1)C(=O)CN1CCCCCCC1=O
InChIInChI=1S/C19H29N3O2/c20-12-8-14-21(15-17-9-4-3-5-10-17)19(24)16-22-13-7-2-1-6-11-18(22)23/h3-5,9-10H,1-2,6-8,11-16,20H2
InChIKeyUOYWPQRVCHGBML-UHFFFAOYSA-N
XLogP2.16
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120885063
N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
CID 71890310
N-(3-aminopropyl)-N-benzyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 120649665
N-(2-aminoethyl)-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide
CID 120885504
N-(3-aminopropyl)-N-benzylazepane-1-carboxamide
CID 107366335
2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 74251298
N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 120648461
N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 72865270
N-(3-aminopropyl)-N-benzyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide;hydrochloride
CID 120649716
N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 120648313
N'-benzyl-2-(2-oxopiperidin-1-yl)-N'-phenylacetohydrazide
CID 78865761
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide (CID 120648217) is N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide is NCCCN(Cc1ccccc1)C(=O)CN1CCCCCCC1=O.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide?
The InChIKey is UOYWPQRVCHGBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c20-12-8-14-21(15-17-9-4-3-5-10-17)19(24)16-22-13-7-2-1-6-11-18(22)23/h3-5,9-10H,1-2,6-8,11-16,20H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide?
N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.16, 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-(2-oxoazocan-1-yl)acetamide is sourced from PubChem (CID 120648217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).