1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol

C16H29NO4 — CID 42682228

IUPAC1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCOCCN(Cc1ccc(C)o1)CC(O)COCC(C)C
InChIInChI=1S/C16H29NO4/c1-13(2)11-20-12-15(18)9-17(7-8-19-4)10-16-6-5-14(3)21-16/h5-6,13,15,18H,7-12H2,1-4H3
InChIKeyWIKGCXWKGHDZTI-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.07
Rot. Bonds11

About 1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol

1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 42682228) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID42682228
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCOCCN(Cc1ccc(C)o1)CC(O)COCC(C)C
InChIInChI=1S/C16H29NO4/c1-13(2)11-20-12-15(18)9-17(7-8-19-4)10-16-6-5-14(3)21-16/h5-6,13,15,18H,7-12H2,1-4H3
InChIKeyWIKGCXWKGHDZTI-UHFFFAOYSA-N
XLogP2.07
TPSA55.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161816
(2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161968
1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24713531
(2S)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161343
1-[furan-2-ylmethyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713625
(2S)-1-[furan-2-ylmethyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161246
1-[3-methylbutyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-2-ol
CID 46007121
(2S)-1-[(4-methoxyphenyl)methyl-(3-methylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93160644
(2R)-1-[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93163679
1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682208
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93146968
1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 4238686

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol (CID 42682228) is 1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol is COCCN(Cc1ccc(C)o1)CC(O)COCC(C)C.
What is the InChIKey of 1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is WIKGCXWKGHDZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-13(2)11-20-12-15(18)9-17(7-8-19-4)10-16-6-5-14(3)21-16/h5-6,13,15,18H,7-12H2,1-4H3.
What are the key properties of 1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 299.41 g/mol, XLogP of 2.07, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 42682228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).