(2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol

C16H23NO3 — CID 93161975

IUPAC(2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOC[C@@H](O)CN(Cc1ccc(C)o1)CC1CC1
InChIInChI=1S/C16H23NO3/c1-3-8-19-12-15(18)10-17(9-14-5-6-14)11-16-7-4-13(2)20-16/h1,4,7,14-15,18H,5-6,8-12H2,2H3/t15-/m0/s1
InChIKeyLIETXEDWQOGUHL-HNNXBMFYSA-N
MW277.36 g/mol
LogP1.81
Rot. Bonds9

About (2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol

(2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol (PubChem CID 93161975) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
PubChem CID93161975
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOC[C@@H](O)CN(Cc1ccc(C)o1)CC1CC1
InChIInChI=1S/C16H23NO3/c1-3-8-19-12-15(18)10-17(9-14-5-6-14)11-16-7-4-13(2)20-16/h1,4,7,14-15,18H,5-6,8-12H2,2H3/t15-/m0/s1
InChIKeyLIETXEDWQOGUHL-HNNXBMFYSA-N
XLogP1.81
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161968
(2R)-1-[(5-methylthiophen-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 98628428
(2S)-1-[cyclopropylmethyl-[[3-methyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 93230365
(2R)-1-[cyclopropylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 93220113
1-[cyclopropylmethyl-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 46025987
1-[cyclohexylmethyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 42794874
(2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 98628192
(2S)-1-[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 129419545
(2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161955
(2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161816
1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 42682228
(2S)-1-[cyclopropylmethyl-[[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 93224571

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol?
The IUPAC name of (2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol (CID 93161975) is (2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol?
The canonical SMILES for (2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol is C#CCOC[C@@H](O)CN(Cc1ccc(C)o1)CC1CC1.
What is the InChIKey of (2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol?
The InChIKey is LIETXEDWQOGUHL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-8-19-12-15(18)10-17(9-14-5-6-14)11-16-7-4-13(2)20-16/h1,4,7,14-15,18H,5-6,8-12H2,2H3/t15-/m0/s1.
What are the key properties of (2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol?
(2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol has a molecular weight of 277.36 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol is sourced from PubChem (CID 93161975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).