(2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide

C20H24N2O3 — CID 120794968

IUPAC(2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
SMILESCOc1cccc(-c2ccc(CNC(=O)[C@@H]3CC[C@H](CN)O3)cc2)c1
InChIInChI=1S/C20H24N2O3/c1-24-17-4-2-3-16(11-17)15-7-5-14(6-8-15)13-22-20(23)19-10-9-18(12-21)25-19/h2-8,11,18-19H,9-10,12-13,21H2,1H3,(H,22,23)/t18-,19+/m1/s1
InChIKeyBICDQRUJZGLYSK-MOPGFXCFSA-N
MW340.42 g/mol
LogP2.48
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide (PubChem CID 120794968) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
PubChem CID120794968
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
SMILESCOc1cccc(-c2ccc(CNC(=O)[C@@H]3CC[C@H](CN)O3)cc2)c1
InChIInChI=1S/C20H24N2O3/c1-24-17-4-2-3-16(11-17)15-7-5-14(6-8-15)13-22-20(23)19-10-9-18(12-21)25-19/h2-8,11,18-19H,9-10,12-13,21H2,1H3,(H,22,23)/t18-,19+/m1/s1
InChIKeyBICDQRUJZGLYSK-MOPGFXCFSA-N
XLogP2.48
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide (CID 120794968) is (2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide is COc1cccc(-c2ccc(CNC(=O)[C@@H]3CC[C@H](CN)O3)cc2)c1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is BICDQRUJZGLYSK-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-17-4-2-3-16(11-17)15-7-5-14(6-8-15)13-22-20(23)19-10-9-18(12-21)25-19/h2-8,11,18-19H,9-10,12-13,21H2,1H3,(H,22,23)/t18-,19+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 120794968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).