(2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide

C14H26N2O3 — CID 98574633

IUPAC(2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide
SMILESNC1CCC(OCCCNC(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C14H26N2O3/c15-11-4-6-12(7-5-11)18-10-2-8-16-14(17)13-3-1-9-19-13/h11-13H,1-10,15H2,(H,16,17)/t11?,12?,13-/m0/s1
InChIKeyYSOYEVVJKYSPBP-BPCQOVAHSA-N
MW270.37 g/mol
LogP0.96
Rot. Bonds6

About (2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide

(2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide (PubChem CID 98574633) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide
PubChem CID98574633
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide
SMILESNC1CCC(OCCCNC(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C14H26N2O3/c15-11-4-6-12(7-5-11)18-10-2-8-16-14(17)13-3-1-9-19-13/h11-13H,1-10,15H2,(H,16,17)/t11?,12?,13-/m0/s1
InChIKeyYSOYEVVJKYSPBP-BPCQOVAHSA-N
XLogP0.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-piperidin-4-yloxyethyl)oxolane-2-carboxamide
CID 104856278
N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide
CID 125438596
ethyl 4-[[(2S)-oxolane-2-carbonyl]amino]butanoate
CID 103872319
6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
CID 30112632
methyl 6-(oxolane-2-carbonylamino)hexanoate
CID 43404498
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232
(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide
CID 63869806
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide
CID 65160094
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide
CID 63753369
1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
CID 63870768

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide (CID 98574633) is (2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide is NC1CCC(OCCCNC(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of (2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide?
The InChIKey is YSOYEVVJKYSPBP-BPCQOVAHSA-N. The full InChI is InChI=1S/C14H26N2O3/c15-11-4-6-12(7-5-11)18-10-2-8-16-14(17)13-3-1-9-19-13/h11-13H,1-10,15H2,(H,16,17)/t11?,12?,13-/m0/s1.
What are the key properties of (2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide?
(2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(4-aminocyclohexyl)oxypropyl]oxolane-2-carboxamide is sourced from PubChem (CID 98574633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).