1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol

C20H29NO4 — CID 24713531

IUPAC1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCOCCCN(Cc1ccc(C)o1)CC(O)COCc1ccccc1
InChIInChI=1S/C20H29NO4/c1-17-9-10-20(25-17)14-21(11-6-12-23-2)13-19(22)16-24-15-18-7-4-3-5-8-18/h3-5,7-10,19,22H,6,11-16H2,1-2H3
InChIKeyWJUXEGVXGCFGBP-UHFFFAOYSA-N
MW347.45 g/mol
LogP3.00
Rot. Bonds12

About 1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol

1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol (PubChem CID 24713531) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is 1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
PubChem CID24713531
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC Name1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCOCCCN(Cc1ccc(C)o1)CC(O)COCc1ccccc1
InChIInChI=1S/C20H29NO4/c1-17-9-10-20(25-17)14-21(11-6-12-23-2)13-19(22)16-24-15-18-7-4-3-5-8-18/h3-5,7-10,19,22H,6,11-16H2,1-2H3
InChIKeyWJUXEGVXGCFGBP-UHFFFAOYSA-N
XLogP3.00
TPSA55.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 93161480
1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007114
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 46006806
(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
(2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93161864
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
(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 7202218
(2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160750
1-[3-methylbutyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-2-ol
CID 46007121
1-[(2,5-dimethylphenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682220

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol (CID 24713531) is 1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol is COCCCN(Cc1ccc(C)o1)CC(O)COCc1ccccc1.
What is the InChIKey of 1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is WJUXEGVXGCFGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-17-9-10-20(25-17)14-21(11-6-12-23-2)13-19(22)16-24-15-18-7-4-3-5-8-18/h3-5,7-10,19,22H,6,11-16H2,1-2H3.
What are the key properties of 1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol?
1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 347.45 g/mol, XLogP of 3.00, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 24713531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).