2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide

C13H26N2O2 — CID 54874277

IUPAC2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide
SMILESCCCCC(N)C(=O)N(CC)CC1CCOC1
InChIInChI=1S/C13H26N2O2/c1-3-5-6-12(14)13(16)15(4-2)9-11-7-8-17-10-11/h11-12H,3-10,14H2,1-2H3
InChIKeySARPYFZVRCVPQN-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds7

About 2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide

2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide (PubChem CID 54874277) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide
PubChem CID54874277
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide
SMILESCCCCC(N)C(=O)N(CC)CC1CCOC1
InChIInChI=1S/C13H26N2O2/c1-3-5-6-12(14)13(16)15(4-2)9-11-7-8-17-10-11/h11-12H,3-10,14H2,1-2H3
InChIKeySARPYFZVRCVPQN-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
CID 104984084
(2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide
CID 113304824
3-amino-N-ethyl-2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 62668913
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide
CID 76894991
2-amino-N-methyl-N-(oxolan-3-ylmethyl)pentanamide;hydrochloride
CID 119341303
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 114995328
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751
(2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
CID 103831500
2-amino-N-(oxolan-3-yl)hexanamide
CID 80713232
1-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclobutane-1-carboxamide
CID 81172156

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide?
The IUPAC name of 2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide (CID 54874277) is 2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide?
The canonical SMILES for 2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide is CCCCC(N)C(=O)N(CC)CC1CCOC1.
What is the InChIKey of 2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide?
The InChIKey is SARPYFZVRCVPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-5-6-12(14)13(16)15(4-2)9-11-7-8-17-10-11/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide?
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide has a molecular weight of 242.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide is sourced from PubChem (CID 54874277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).