4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide

C13H25N3O2 — CID 66235652

IUPAC4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCCN1CCCCCC1
InChIInChI=1S/C13H25N3O2/c14-12-10-18-9-11(12)13(17)15-5-8-16-6-3-1-2-4-7-16/h11-12H,1-10,14H2,(H,15,17)
InChIKeyRAHSBLRJYLHICW-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.05
Rot. Bonds4

About 4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide

4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide (PubChem CID 66235652) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
PubChem CID66235652
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCCN1CCCCCC1
InChIInChI=1S/C13H25N3O2/c14-12-10-18-9-11(12)13(17)15-5-8-16-6-3-1-2-4-7-16/h11-12H,1-10,14H2,(H,15,17)
InChIKeyRAHSBLRJYLHICW-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-methyl-N-(2-piperidin-1-ylethyl)cyclohexane-1-carboxamide
CID 62782757
2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 64823304
4-amino-N-hexyloxolane-3-carboxamide
CID 66238816
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
4-amino-N-(2-ethoxyethyl)oxolane-3-carboxamide
CID 66239012
(1S,6R)-6-(2-piperidin-1-ylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962309
7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid
CID 66235647
methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate
CID 66237074
4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide
CID 66237269
4-amino-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxolane-3-carboxamide
CID 66236468
4-(ethylamino)-N-(2-morpholin-4-ylethyl)oxolane-3-carboxamide
CID 66260000
4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 113410096

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide (CID 66235652) is 4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide is NC1COCC1C(=O)NCCN1CCCCCC1.
What is the InChIKey of 4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is RAHSBLRJYLHICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-12-10-18-9-11(12)13(17)15-5-8-16-6-3-1-2-4-7-16/h11-12H,1-10,14H2,(H,15,17).
What are the key properties of 4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide?
4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66235652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).