N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride

C14H26ClN3O2 — CID 119617570

IUPACN-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CN1CCCCCCC1=O)C1CC1
InChIInChI=1S/C14H25N3O2.ClH/c15-9-12(11-6-7-11)16-13(18)10-17-8-4-2-1-3-5-14(17)19;/h11-12H,1-10,15H2,(H,16,18);1H
InChIKeyKFGGEIIHMDSILG-UHFFFAOYSA-N
MW303.83 g/mol
LogP1.05
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride (PubChem CID 119617570) has the molecular formula C14H26ClN3O2 and a molecular weight of 303.83 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
PubChem CID119617570
Molecular FormulaC14H26ClN3O2
Molecular Weight303.83 g/mol
Exact Mass303.17
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CN1CCCCCCC1=O)C1CC1
InChIInChI=1S/C14H25N3O2.ClH/c15-9-12(11-6-7-11)16-13(18)10-17-8-4-2-1-3-5-14(17)19;/h11-12H,1-10,15H2,(H,16,18);1H
InChIKeyKFGGEIIHMDSILG-UHFFFAOYSA-N
XLogP1.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide
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N-(1-aminohexan-2-yl)-2-(2-oxopiperidin-1-yl)acetamide;hydrochloride
CID 119667628
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CID 119575815
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N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
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(2S)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanedioic acid
CID 61151877
N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119621354
N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride
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N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide
CID 119573783

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride (CID 119617570) is N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride is Cl.NCC(NC(=O)CN1CCCCCCC1=O)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
The InChIKey is KFGGEIIHMDSILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.ClH/c15-9-12(11-6-7-11)16-13(18)10-17-8-4-2-1-3-5-14(17)19;/h11-12H,1-10,15H2,(H,16,18);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119617570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).