N-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide

C16H28N2O4 — CID 4830564

IUPACN-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)CC(O)COCc1ccco1
InChIInChI=1S/C16H28N2O4/c1-5-18(10-15(20)17-16(2,3)4)9-13(19)11-21-12-14-7-6-8-22-14/h6-8,13,19H,5,9-12H2,1-4H3,(H,17,20)
InChIKeyFLPFLGOYWKDQIH-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.39
Rot. Bonds9

About N-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide

N-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide (PubChem CID 4830564) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide
PubChem CID4830564
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC NameN-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)CC(O)COCc1ccco1
InChIInChI=1S/C16H28N2O4/c1-5-18(10-15(20)17-16(2,3)4)9-13(19)11-21-12-14-7-6-8-22-14/h6-8,13,19H,5,9-12H2,1-4H3,(H,17,20)
InChIKeyFLPFLGOYWKDQIH-UHFFFAOYSA-N
XLogP1.39
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[ethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]acetamide
CID 4830565
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
N-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide
CID 110882536
1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60634350
1-[cyclopentyl(ethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 110892630
3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276546
(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol
CID 93162765
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
(2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 93162553
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
1-(furan-2-ylmethoxy)-3-(2-methoxyethoxyamino)propan-2-ol
CID 82721549
1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 46006706

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide (CID 4830564) is N-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide is CCN(CC(=O)NC(C)(C)C)CC(O)COCc1ccco1.
What is the InChIKey of N-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide?
The InChIKey is FLPFLGOYWKDQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-5-18(10-15(20)17-16(2,3)4)9-13(19)11-21-12-14-7-6-8-22-14/h6-8,13,19H,5,9-12H2,1-4H3,(H,17,20).
What are the key properties of N-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide?
N-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide has a molecular weight of 312.41 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide is sourced from PubChem (CID 4830564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).