(2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine

C22H31NO3 — CID 51690741

IUPAC(2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine
SMILESCOc1ccccc1[C@H](CCN[C@H]1CCO[C@H](C(C)C)C1)c1ccco1
InChIInChI=1S/C22H31NO3/c1-16(2)22-15-17(11-14-26-22)23-12-10-19(21-9-6-13-25-21)18-7-4-5-8-20(18)24-3/h4-9,13,16-17,19,22-23H,10-12,14-15H2,1-3H3/t17-,19-,22-/m0/s1
InChIKeyADZJVPMVUQQIJT-JLMWRMLUSA-N
MW357.49 g/mol
LogP4.60
Rot. Bonds8

About (2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine

(2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine (PubChem CID 51690741) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is (2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound Name(2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine
PubChem CID51690741
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC Name(2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine
SMILESCOc1ccccc1[C@H](CCN[C@H]1CCO[C@H](C(C)C)C1)c1ccco1
InChIInChI=1S/C22H31NO3/c1-16(2)22-15-17(11-14-26-22)23-12-10-19(21-9-6-13-25-21)18-7-4-5-8-20(18)24-3/h4-9,13,16-17,19,22-23H,10-12,14-15H2,1-3H3/t17-,19-,22-/m0/s1
InChIKeyADZJVPMVUQQIJT-JLMWRMLUSA-N
XLogP4.60
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine with MolForge

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Related Compounds

Methyl 3-(4-(furan-2-yl)phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylate
CID 44406308
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3-(Furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
CID 2921616
N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
CID 665041
N-benzyl-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide
CID 2938128
3-(2-furanyl)-N-[3-(2-furanyl)-4-methylpentyl]-4-phenylbutanamide
CID 3275785
N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide
CID 3532483
3-(furan-2-yl)-3-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 3972597
4-(1-Benzofuran-3-yl)-1-propylpiperidine
CID 71452519
N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxane-4-carboxamide
CID 2947017
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 665239

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine?
The IUPAC name of (2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine (CID 51690741) is (2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine.
What is the SMILES notation for (2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine?
The canonical SMILES for (2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine is COc1ccccc1[C@H](CCN[C@H]1CCO[C@H](C(C)C)C1)c1ccco1.
What is the InChIKey of (2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine?
The InChIKey is ADZJVPMVUQQIJT-JLMWRMLUSA-N. The full InChI is InChI=1S/C22H31NO3/c1-16(2)22-15-17(11-14-26-22)23-12-10-19(21-9-6-13-25-21)18-7-4-5-8-20(18)24-3/h4-9,13,16-17,19,22-23H,10-12,14-15H2,1-3H3/t17-,19-,22-/m0/s1.
What are the key properties of (2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine?
(2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine has a molecular weight of 357.49 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 51690741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).