N-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide

C15H27NO4 — CID 175786431

IUPACN-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide
SMILESCCN(CC1CCOCC1)C(=O)CC1(O)CCOCC1
InChIInChI=1S/C15H27NO4/c1-2-16(12-13-3-7-19-8-4-13)14(17)11-15(18)5-9-20-10-6-15/h13,18H,2-12H2,1H3
InChIKeyFOTTTZKMHIHBJE-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.19
Rot. Bonds5

About N-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide

N-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide (PubChem CID 175786431) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is N-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide
PubChem CID175786431
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC NameN-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide
SMILESCCN(CC1CCOCC1)C(=O)CC1(O)CCOCC1
InChIInChI=1S/C15H27NO4/c1-2-16(12-13-3-7-19-8-4-13)14(17)11-15(18)5-9-20-10-6-15/h13,18H,2-12H2,1H3
InChIKeyFOTTTZKMHIHBJE-UHFFFAOYSA-N
XLogP1.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(4-hydroxyoxan-4-yl)acetamide
CID 174157635
N-ethyl-2-(1-hydroxycyclopentyl)-N-(oxolan-2-ylmethyl)acetamide
CID 111430742
N,N-bis(cyclopropylmethyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111538805
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide
CID 63956780
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide;hydrochloride
CID 120932569
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide
CID 107397896
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751
2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63956962
N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 54874267
2-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569649
1-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclobutane-1-carboxamide
CID 81172156

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide (CID 175786431) is N-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide is CCN(CC1CCOCC1)C(=O)CC1(O)CCOCC1.
What is the InChIKey of N-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is FOTTTZKMHIHBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-2-16(12-13-3-7-19-8-4-13)14(17)11-15(18)5-9-20-10-6-15/h13,18H,2-12H2,1H3.
What are the key properties of N-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide?
N-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 285.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 175786431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).