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

C23H30N2O3 — CID 120794830

IUPAC(2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide
SMILESCOc1ccccc1-c1ccc(CN(C(=O)[C@@H]2CC[C@H](CN)O2)C(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-16(2)25(23(26)22-13-12-19(14-24)28-22)15-17-8-10-18(11-9-17)20-6-4-5-7-21(20)27-3/h4-11,16,19,22H,12-15,24H2,1-3H3/t19-,22+/m1/s1
InChIKeySSWLYVTVFGDNRJ-KNQAVFIVSA-N
MW382.50 g/mol
LogP3.61
Rot. Bonds7

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

(2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide (PubChem CID 120794830) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide
PubChem CID120794830
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide
SMILESCOc1ccccc1-c1ccc(CN(C(=O)[C@@H]2CC[C@H](CN)O2)C(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-16(2)25(23(26)22-13-12-19(14-24)28-22)15-17-8-10-18(11-9-17)20-6-4-5-7-21(20)27-3/h4-11,16,19,22H,12-15,24H2,1-3H3/t19-,22+/m1/s1
InChIKeySSWLYVTVFGDNRJ-KNQAVFIVSA-N
XLogP3.61
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[(4-nitrophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide
CID 120789646
(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-propan-2-yloxolane-2-carboxamide
CID 120787294
4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride
CID 119334370
(2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride
CID 120789951
2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119802458
2-(2-methoxyethylamino)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylacetamide
CID 119802464
(2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide
CID 120783698
(2S,5R)-5-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120795793
(2S,5R)-5-(aminomethyl)-N-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolane-2-carboxamide
CID 120794534
(2S,5R)-5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 120783134
5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide
CID 104551738
(2S,5R)-5-(aminomethyl)-N-[2-(2-methoxyphenyl)propan-2-yl]oxolane-2-carboxamide
CID 120792004

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide (CID 120794830) is (2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide is COc1ccccc1-c1ccc(CN(C(=O)[C@@H]2CC[C@H](CN)O2)C(C)C)cc1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide?
The InChIKey is SSWLYVTVFGDNRJ-KNQAVFIVSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16(2)25(23(26)22-13-12-19(14-24)28-22)15-17-8-10-18(11-9-17)20-6-4-5-7-21(20)27-3/h4-11,16,19,22H,12-15,24H2,1-3H3/t19-,22+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide is sourced from PubChem (CID 120794830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).